2,3-diphenethyl-2-sulfo-butanedioic acid

Systemtic Name: 2,3-diphenethyl-2-sulfo-butanedioic acid Openeye Name: 2,3-diphenethyl-2-sulfo-butanedioic acid CAS Name: 2,3-diphenethyl-2-sulfobutanedioic acid IUPAC Name: 2,3-diphenethyl-2-sulfobutanedioic acid Traditional Name: 2,3-diphenethyl-2-sulfo-succinic acid Formula: C20H22O7S MolecularWeight: 406.44948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)C(CCC2=CC=CC=C2)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)C(CCC2=CC=CC=C2)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H22O7S/c21-18(22)17(12-11-15-7-3-1-4-8-15)20(19(23)24,28(25,26)27)14-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,22)(H,23,24)(H,25,26,27)