(phenylmethyl) 2-[9,10-bis(oxidanylidene)-5-(2-phenylmethoxycarbonylphenyl)sulfanyl-anthracen-1-yl]sulfanylbenzoate

Systemtic Name: (phenylmethyl) 2-[9,10-bis(oxidanylidene)-5-(2-phenylmethoxycarbonylphenyl)sulfanyl-anthracen-1-yl]sulfanylbenzoate Openeye Name: benzyl 2-[[5-(2-benzyloxycarbonylphenyl)sulfanyl-9,10-dioxo-1-anthryl]sulfanyl]benzoate CAS Name: 2-[[9,10-dioxo-5-[(2-phenylmethoxycarbonylphenyl)thio]-1-anthracenyl]thio]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[9,10-dioxo-5-(2-phenylmethoxycarbonylphenyl)sulfanylanthracen-1-yl]sulfanylbenzoate Traditional Name: 2-[[5-[(2-carbobenzoxyphenyl)thio]-9,10-diketo-1-anthryl]thio]benzoic acid benzyl ester Formula: C42H28O6S2 MolecularWeight: 692.79812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SC3=CC=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)SC6=CC=CC=C6C(=O)OCC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SC3=CC=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)SC6=CC=CC=C6C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C42H28O6S2/c43-39-32-20-12-24-36(50-34-22-10-8-18-30(34)42(46)48-26-28-15-5-2-6-16-28)38(32)40(44)31-19-11-23-35(37(31)39)49-33-21-9-7-17-29(33)41(45)47-25-27-13-3-1-4-14-27/h1-24H,25-26H2