2-methoxy-5-[(E)-(3-oxidanylidene-1H-inden-2-ylidene)methyl]benzenesulfonate

Systemtic Name: 2-methoxy-5-[(E)-(3-oxidanylidene-1H-inden-2-ylidene)methyl]benzenesulfonate Openeye Name: 2-methoxy-5-[(E)-(1-oxoindan-2-ylidene)methyl]benzenesulfonate CAS Name: 2-methoxy-5-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]benzenesulfonate IUPAC Name: 2-methoxy-5-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]benzenesulfonate Traditional Name: 5-[(E)-(1-ketoindan-2-ylidene)methyl]-2-methoxy-besylate Formula: C17H13O5S- MolecularWeight: 329.34712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CC3=CC=CC=C3C2=O)S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\CC3=CC=CC=C3C2=O)S(=O)(=O)[O-]

InChI

InChI=1S/C17H14O5S/c1-22-15-7-6-11(9-16(15)23(19,20)21)8-13-10-12-4-2-3-5-14(12)17(13)18/h2-9H,10H2,1H3,(H,19,20,21)/p-1/b13-8+