[3-(4-nitrophenyl)sulfanyl-2-oxidanylidene-4a,8a-dihydrochromen-4-yl] 2-(phenylcarbonyl)benzoate

Systemtic Name: [3-(4-nitrophenyl)sulfanyl-2-oxidanylidene-4a,8a-dihydrochromen-4-yl] 2-(phenylcarbonyl)benzoate Openeye Name: [3-(4-nitrophenyl)sulfanyl-2-oxo-4a,8a-dihydrochromen-4-yl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic acid [3-[(4-nitrophenyl)thio]-2-oxo-4a,8a-dihydro-1-benzopyran-4-yl] ester IUPAC Name: [3-(4-nitrophenyl)sulfanyl-2-oxo-4a,8a-dihydrochromen-4-yl] 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [2-keto-3-[(4-nitrophenyl)thio]-4a,8a-dihydrochromen-4-yl] ester Formula: C29H19NO7S MolecularWeight: 525.52866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3=C(C(=O)OC4C3C=CC=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3=C(C(=O)OC4C3C=CC=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H19NO7S/c31-25(18-8-2-1-3-9-18)21-10-4-5-11-22(21)28(32)37-26-23-12-6-7-13-24(23)36-29(33)27(26)38-20-16-14-19(15-17-20)30(34)35/h1-17,23-24H