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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,4-bis[(2-ethylhexyl)amino]-9,10-dihydroanthracene-9,10-dione

Inventory

EC number:
249-931-6
EC name:
1,4-bis[(2-ethylhexyl)amino]anthraquinone
CAS number:
29887-08-9
CAS number:
29887-08-9
Synonyms
Names:
9,10-Anthracenedione, 1,4-bis (2-ethylhexyl)amino -
9,10-Anthracenedione, 1,4-bis[(2-ethylhexyl)amino]-
Anthraquinone, 1,4-bis[(2-ethylhexyl)amino]-
Identifier:
IUPAC name
1,4-bis[(2-ethylhexyl)amino]-9,10-anthraquinone
Identifier:
IUPAC name
1,4-bis[(2-ethylhexyl)amino]-9,10-dihydroanthracene-9,10-dione
Identifier:
IUPAC name
1,4-bis[(2-ethylhexyl)amino]anthraquinone
Identifier:
Colour Index
617043
Identifier:
Colour Index
Solvent Blue 58
Identifier:
other: InChl
InChI=1S/C30H42N2O2/c1-5-9-13-21(7-3)19-31-25-17-18-26(32-20-22(8-4)14-10-6-2)28-27(25)29(33)23-15-11-12-16-24(23)30(28)34/h11-12,15-18,21-22,31-32H,5-10,13-14,19-20H2,1-4H3
Identifier:
other: SMILES notation
CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2C(=O)c3ccccc3C(=O)c12
Identifier:
other: SMILES notation
CCCCC(CC)CNc1ccc(c2c1C(=O)c3ccccc3C2=O)NCC(CC)CCCC
Identifier:
other: InChl
InChI=1/C30H42N2O2/c1-5-9-13-21(7-3)19-31-25-17-18-26(32-20-22(8-4)14-10-6-2)28-27(25)29(33)23-15-11-12-16-24(23)30(28)34/h11-12,15-18,21-22,31-32H,5-10,13-14,19-20H2,1-4H3
Identifier:
other: InChl
InChI=1/C30H42N2O2/c1-5-9-13-21(7-3)19-31-25-17-18-26(32-20-22(8-4)14-10-6-2)28-27(25)29(33)23-15-11-12-16-24(23)30(28)34/h11-12,15-18,21-22,31-32H,5-10,13-14,19-20H2,1-4H3
Identifier:
other: SMILES notation
O=C2c1ccccc1C(=O)c3c2c(ccc3NCC(CC)CCCC)NCC(CC)CCCC

Molecular and structural information

Molecular formula:
C30H42N2O2
Molecular weight:
462.67
SMILES notation:
CCCCC(CC)CNc1ccc(c2c1C(=O)c3ccccc3C2=O)NCC(CC)CCCC
InChl:
InChI=1S/C30H42N2O2/c1-5-9-13-21(7-3)19-31-25-17-18-26(32-20-22(8-4)14-10-6-2)28-27(25)29(33)23-15-11-12-16-24(23)30(28)34/h11-12,15-18,21-22,31-32H,5-10,13-14,19-20H2,1-4H3
Structural formula:
Chemical structure

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