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IUPAC name:
6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoic acid

Inventory

EC number:
279-505-5
EC name:
6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoic acid
CAS number:
80584-91-4
CAS number:
80584-91-4
Synonyms
Names:
Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
Identifier:
CAS number
80584-91-4
Identifier:
IUPAC name
6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoic acid
Identifier:
IUPAC name
6-({bis[(5-carboxypentyl)amino]-1,3,5-triazin-2-yl}amino)hexanoic acid
Identifier:
other: SMILES notation
C(CCC(=O)O)CCNC1=NC(=NC(=N1)NCCCCCC(=O)O)NCCCCCC(=O)O
Identifier:
other: SMILES notation
C(CCC(=O)O)CCNC1=NC(=NC(=N1)NCCCCCC(=O)O)NCCCCCC(=O)O
Identifier:
other: Molecular formula
C21H36N6O6
Identifier:
other: InChl
InChI=1S/C21H36N6O6/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27)
Identifier:
other: SMILES notation
OC(=O)CCCCCNC1=NC(NCCCCCC(O)=O)=NC(NCCCCCC(O)=O)=N1
6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoic acid

Molecular and structural information

Molecular formula:
C21H36N6O6
Molecular weight:
468.547
SMILES notation:
OC(=O)CCCCCNc1nc(NCCCCCC(=O)O)nc(NCCCCCC(=O)O)n1
InChl:
InChI=1/C21H36N6O6/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27)
Structural formula:
Chemical structure

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