4-(1,1-diphenylbutoxy)-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-(1,1-diphenylbutoxy)-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(1,1-diphenylbutoxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-(1,1-diphenylbutoxy)-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-(1,1-diphenylbutoxy)-4-oxo-3-sulfobutanoic acid Traditional Name: 4-(1,1-diphenylbutoxy)-4-keto-3-sulfo-butyric acid Formula: C20H22O7S MolecularWeight: 406.44948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H22O7S/c1-2-13-20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)27-19(23)17(14-18(21)22)28(24,25)26/h3-12,17H,2,13-14H2,1H3,(H,21,22)(H,24,25,26)