N-[10-methylsulfanyl-1,2,3-tris(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-4-nitro-benzamide

Systemtic Name: N-[10-methylsulfanyl-1,2,3-tris(oxidanyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide CAS Name: 4-nitro-N-[1,2,3-trihydroxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide IUPAC Name: 4-nitro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide Traditional Name: 4-nitro-N-[1,2,3-trihydroxy-9-keto-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide Formula: C24H20N2O7S MolecularWeight: 480.4898

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O7S/c1-34-20-9-7-15-16(11-18(20)27)17(8-4-13-10-19(28)22(29)23(30)21(13)15)25-24(31)12-2-5-14(6-3-12)26(32)33/h2-3,5-7,9-11,17,28-30H,4,8H2,1H3,(H,25,31)