1-[(E)-2-methoxycarbonyl-3-oxidanylidene-but-1-enyl]-2-methyl-2,3-dihydroindole-5-sulfonic acid

Systemtic Name: 1-[(E)-2-methoxycarbonyl-3-oxidanylidene-but-1-enyl]-2-methyl-2,3-dihydroindole-5-sulfonic acid Openeye Name: 1-[(E)-2-methoxycarbonyl-3-oxo-but-1-enyl]-2-methyl-indoline-5-sulfonic acid CAS Name: 1-[(E)-2-methoxycarbonyl-3-oxobut-1-enyl]-2-methyl-2,3-dihydroindole-5-sulfonic acid IUPAC Name: 1-[(E)-2-methoxycarbonyl-3-oxobut-1-enyl]-2-methyl-2,3-dihydroindole-5-sulfonic acid Traditional Name: 1-[(E)-2-carbomethoxy-3-keto-but-1-enyl]-2-methyl-indoline-5-sulfonic acid Formula: C15H17NO6S MolecularWeight: 339.36358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1C=C(C(=O)C)C(=O)OC)C=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CC1CC2=C(N1/C=C(\C(=O)C)/C(=O)OC)C=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C15H17NO6S/c1-9-6-11-7-12(23(19,20)21)4-5-14(11)16(9)8-13(10(2)17)15(18)22-3/h4-5,7-9H,6H2,1-3H3,(H,19,20,21)/b13-8+