2-[(Z)-[1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indol-3-ylidene]methyl]-4-nitro-phenol

Systemtic Name: 2-[(Z)-[1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indol-3-ylidene]methyl]-4-nitro-phenol Openeye Name: 2-[(Z)-[4,6-dinitro-1-(p-tolylsulfonyl)indolin-3-ylidene]methyl]-4-nitro-phenol CAS Name: 2-[(Z)-[1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indol-3-ylidene]methyl]-4-nitrophenol IUPAC Name: 2-[(Z)-[1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indol-3-ylidene]methyl]-4-nitrophenol Traditional Name: 2-[(Z)-(4,6-dinitro-1-tosyl-indolin-3-ylidene)methyl]-4-nitro-phenol Formula: C22H16N4O9S MolecularWeight: 512.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=C(C=CC(=C3)[N+](=O)[O-])O)C4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=C(C=CC(=C3)[N+](=O)[O-])O)/C4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O9S/c1-13-2-5-18(6-3-13)36(34,35)23-12-15(8-14-9-16(24(28)29)4-7-21(14)27)22-19(23)10-17(25(30)31)11-20(22)26(32)33/h2-11,27H,12H2,1H3/b15-8+