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

Systemtic Name: [4-[(4-heptylphenyl)carbonylamino]-9,10-bis(oxidanylidene)anthracen-1-yl] 4-heptylbenzoate Openeye Name: [4-[(4-heptylbenzoyl)amino]-9,10-dioxo-1-anthryl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-[[(4-heptylphenyl)-oxomethyl]amino]-9,10-dioxo-1-anthracenyl] ester IUPAC Name: [4-[(4-heptylbenzoyl)amino]-9,10-dioxoanthracen-1-yl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-[(4-heptylbenzoyl)amino]-9,10-diketo-1-anthryl] ester Formula: C42H45NO5 MolecularWeight: 643.8104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)OC(=O)C4=CC=C(C=C4)CCCCCCC)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)OC(=O)C4=CC=C(C=C4)CCCCCCC)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C42H45NO5/c1-3-5-7-9-11-15-29-19-23-31(24-20-29)41(46)43-35-27-28-36(38-37(35)39(44)33-17-13-14-18-34(33)40(38)45)48-42(47)32-25-21-30(22-26-32)16-12-10-8-6-4-2/h13-14,17-28H,3-12,15-16H2,1-2H3,(H,43,46)