2,3-bis(1-phenylethyl)-2-sulfo-butanedioic acid

Systemtic Name: 2,3-bis(1-phenylethyl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(1-phenylethyl)-2-sulfo-butanedioic acid CAS Name: 2,3-bis(1-phenylethyl)-2-sulfobutanedioic acid IUPAC Name: 2,3-bis(1-phenylethyl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(1-phenylethyl)-2-sulfo-succinic acid Formula: C20H22O7S MolecularWeight: 406.44948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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