sodium 2,3-diphenethyl-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-diphenethyl-2-sulfo-butanedioate Openeye Name: sodium 2,3-diphenethyl-2-sulfo-butanedioate CAS Name: sodium 2,3-diphenethyl-2-sulfobutanedioate IUPAC Name: sodium 2,3-diphenethyl-2-sulfobutanedioate Traditional Name: sodium 2,3-diphenethyl-2-sulfo-succinate Formula: C20H20NaO7S- MolecularWeight: 427.42337

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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.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)[O-])C(CCC2=CC=CC=C2)(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H22O7S.Na/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);/q;+1/p-2