4-(1,1-diphenylethoxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-(1,1-diphenylethoxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-(1,1-diphenylethoxy)-4-oxo-3-sulfo-butanoate CAS Name: 4-(1,1-diphenylethoxy)-4-oxo-3-sulfobutanoate IUPAC Name: 4-(1,1-diphenylethoxy)-4-oxo-3-sulfobutanoate Traditional Name: 4-(1,1-diphenylethoxy)-4-keto-3-sulfo-butyrate Formula: C18H17O7S- MolecularWeight: 377.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C(CC(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C(CC(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C18H18O7S/c1-18(13-8-4-2-5-9-13,14-10-6-3-7-11-14)25-17(21)15(12-16(19)20)26(22,23)24/h2-11,15H,12H2,1H3,(H,19,20)(H,22,23,24)/p-1