6-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyhexyl 2-azanylbenzoate

Systemtic Name: 6-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyhexyl 2-azanylbenzoate Openeye Name: 6-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]hexyl 2-aminobenzoate CAS Name: 2-aminobenzoic acid 6-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]hexyl ester IUPAC Name: 6-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyhexyl 2-aminobenzoate Traditional Name: 2-aminobenzoic acid 6-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]hexyl ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OCCCCCCOC(=O)C4=CC=CC=C4N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OCCCCCCOC(=O)C4=CC=CC=C4N)N

InChI

InChI=1S/C27H26N2O6/c28-19-12-6-5-11-18(19)27(33)35-14-8-2-1-7-13-34-21-15-20(30)22-23(24(21)29)26(32)17-10-4-3-9-16(17)25(22)31/h3-6,9-12,15,30H,1-2,7-8,13-14,28-29H2