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

Systemtic Name: sodium 2-methoxy-5-[(E)-(3-oxidanylidene-1H-inden-2-ylidene)methyl]benzenesulfonic acid Openeye Name: sodium 2-methoxy-5-[(E)-(1-oxoindan-2-ylidene)methyl]benzenesulfonic acid CAS Name: sodium 2-methoxy-5-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]benzenesulfonic acid IUPAC Name: sodium 2-methoxy-5-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]benzenesulfonic acid Traditional Name: sodium 5-[(E)-(1-ketoindan-2-ylidene)methyl]-2-methoxy-besylic acid Formula: C17H14NaO5S+ MolecularWeight: 353.34483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CC3=CC=CC=C3C2=O)S(=O)(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C17H14O5S.Na/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);/q;+1/b13-8+;