(E)-4-methylsulfonyloxy-4-oxidanylidene-but-2-enoic acid; pyrido[4,3-b]indol-1-one

Systemtic Name: (E)-4-methylsulfonyloxy-4-oxidanylidene-but-2-enoic acid; pyrido[4,3-b]indol-1-one Openeye Name: (E)-4-methylsulfonyloxy-4-oxo-but-2-enoic acid; pyrido[4,3-b]indol-1-one CAS Name: (E)-4-methylsulfonyloxy-4-oxo-2-butenoic acid; 1-pyrido[4,3-b]indolone IUPAC Name: (E)-4-methylsulfonyloxy-4-oxobut-2-enoic acid; pyrido[4,3-b]indol-1-one Traditional Name: (E)-4-keto-4-methylsulfonyloxy-but-2-enoic acid; pyrid[4,3-b]indol-1-one Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(=O)C=CC(=O)O.C1=CC2=C3C(=CC=NC3=O)N=C2C=C1

Isomeric SMILES

CS(=O)(=O)OC(=O)/C=C/C(=O)O.C1=CC2=C3C(=CC=NC3=O)N=C2C=C1

InChI

InChI=1S/C11H6N2O.C5H6O6S/c14-11-10-7-3-1-2-4-8(7)13-9(10)5-6-12-11;1-12(9,10)11-5(8)3-2-4(6)7/h1-6H;2-3H,1H3,(H,6,7)/b;3-2+