8-nitro-3-[[8-nitro-2-oxidanylidene-6-(phenylmethyl)chromen-3-yl]disulfanyl]-6-(phenylmethyl)chromen-2-one

Systemtic Name: 8-nitro-3-[[8-nitro-2-oxidanylidene-6-(phenylmethyl)chromen-3-yl]disulfanyl]-6-(phenylmethyl)chromen-2-one Openeye Name: 6-benzyl-3-[(6-benzyl-8-nitro-2-oxo-chromen-3-yl)disulfanyl]-8-nitro-chromen-2-one CAS Name: 8-nitro-3-[[8-nitro-2-oxo-6-(phenylmethyl)-1-benzopyran-3-yl]disulfanyl]-6-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 6-benzyl-3-[(6-benzyl-8-nitro-2-oxochromen-3-yl)disulfanyl]-8-nitrochromen-2-one Traditional Name: 6-benzyl-3-[(6-benzyl-2-keto-8-nitro-chromen-3-yl)disulfanyl]-8-nitro-coumarin Formula: C32H20N2O8S2 MolecularWeight: 624.6398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C3C(=C2)C=C(C(=O)O3)SSC4=CC5=CC(=CC(=C5OC4=O)[N+](=O)[O-])CC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C3C(=C2)C=C(C(=O)O3)SSC4=CC5=CC(=CC(=C5OC4=O)[N+](=O)[O-])CC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C32H20N2O8S2/c35-31-27(17-23-13-21(11-19-7-3-1-4-8-19)15-25(33(37)38)29(23)41-31)43-44-28-18-24-14-22(12-20-9-5-2-6-10-20)16-26(34(39)40)30(24)42-32(28)36/h1-10,13-18H,11-12H2