[2-methoxy-4-[(Z)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 3,4-dinitrobenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 3,4-dinitrobenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-(3-oxobenzothiophen-2-ylidene)methyl]phenyl] 3,4-dinitrobenzenesulfonate CAS Name: 3,4-dinitrobenzenesulfonic acid [2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3,4-dinitrobenzenesulfonate Traditional Name: 3,4-dinitrobenzenesulfonic acid [4-[(Z)-(3-ketobenzothiophen-2-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C22H14N2O9S2 MolecularWeight: 514.48456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3S2)OS(=O)(=O)C4=CC(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)C3=CC=CC=C3S2)OS(=O)(=O)C4=CC(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O9S2/c1-32-19-10-13(11-21-22(25)15-4-2-3-5-20(15)34-21)6-9-18(19)33-35(30,31)14-7-8-16(23(26)27)17(12-14)24(28)29/h2-12H,1H3/b21-11-