[4,5-bis[(2-heptylphenyl)carbonylamino]-8-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl] 2-heptylbenzoate

Systemtic Name: [4,5-bis[(2-heptylphenyl)carbonylamino]-8-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl] 2-heptylbenzoate Openeye Name: [4,5-bis[(2-heptylbenzoyl)amino]-8-hydroxy-9,10-dioxo-1-anthryl] 2-heptylbenzoate CAS Name: 2-heptylbenzoic acid [4,5-bis[[(2-heptylphenyl)-oxomethyl]amino]-8-hydroxy-9,10-dioxo-1-anthracenyl] ester IUPAC Name: [4,5-bis[(2-heptylbenzoyl)amino]-8-hydroxy-9,10-dioxoanthracen-1-yl] 2-heptylbenzoate Traditional Name: 2-heptylbenzoic acid [4,5-bis[(2-heptylbenzoyl)amino]-8-hydroxy-9,10-diketo-1-anthryl] ester Formula: C56H64N2O7 MolecularWeight: 877.11656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1C(=O)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)NC(=O)C5=CC=CC=C5CCCCCCC)OC(=O)C6=CC=CC=C6CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=CC=C1C(=O)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)NC(=O)C5=CC=CC=C5CCCCCCC)OC(=O)C6=CC=CC=C6CCCCCCC

InChI

InChI=1S/C56H64N2O7/c1-4-7-10-13-16-25-38-28-19-22-31-41(38)54(62)57-44-34-36-46(59)50-48(44)52(60)49-45(58-55(63)42-32-23-20-29-39(42)26-17-14-11-8-5-2)35-37-47(51(49)53(50)61)65-56(64)43-33-24-21-30-40(43)27-18-15-12-9-6-3/h19-24,28-37,59H,4-18,25-27H2,1-3H3,(H,57,62)(H,58,63)