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IUPAC name:
sodium 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Inventory

EC number:
267-224-0
EC name:
Sodium 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
CAS number:
67827-60-5
CAS number:
67827-60-5
Synonyms
Names:
2-Anthracenesulfonic acid, 1-amino-4-[[3-[(benzoylamino) methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro -9,10-dioxo-, monosodium salt
2-Anthracenesulfonic acid, 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-di
2-Anthracenesulfonic acid, 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt
Identifier:
IUPAC name
2-​Anthracenesulfonic acid, 1-​amino-​4-​[[3-​[(benzoylamino)​methyl]​-​2,​4,​6-​trimethylphenyl]​amino]​-​9,​10-​dihydro-​9,​10-​dioxo-​, sodium salt (1:1)
Identifier:
IUPAC name
Sodium 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulfonate
Identifier:
IUPAC name
sodium 1-amino-9,10-dioxo-4-({2,4,6-trimethyl-3-[(phenylformamido)methyl]phenyl}amino)-9,10-dihydroanthracene-2-sulfonate
Identifier:
other: InChl
InChI=1/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);/q;+1/p-1
Identifier:
other: Molecular formula
C31H26N3O6SNa
Identifier:
other: Molecular formula
C31H27N3O6S.Na
Identifier:
other: SMILES notation
O=S(C1=CC(NC2=C(C)C=C(C)C(CNC(C3=CC=CC=C3)=O)=C2C)=C(C(C4=C5C=CC=C4)=O)C(C5=O)=C1N)(O[Na])=O
sodium 1-amino-4-({3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Molecular and structural information

Molecular formula:
C31H26N3O6S.Na
Molecular weight:
ca. 591.609
SMILES notation:
[Na+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1CNC(=O)c5ccccc5
InChl:
InChI=1/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);/q;+1/p-1
Structural formula:
Chemical structure

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