sodium 2,3-bis(2-phenylpropyl)-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-bis(2-phenylpropyl)-2-sulfo-butanedioate Openeye Name: sodium 2,3-bis(2-phenylpropyl)-2-sulfo-butanedioate CAS Name: sodium 2,3-bis(2-phenylpropyl)-2-sulfobutanedioate IUPAC Name: sodium 2,3-bis(2-phenylpropyl)-2-sulfobutanedioate Traditional Name: sodium 2,3-bis(2-phenylpropyl)-2-sulfo-succinate Formula: C22H24NaO7S- MolecularWeight: 455.47653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O7S.Na/c1-15(17-9-5-3-6-10-17)13-19(20(23)24)22(21(25)26,30(27,28)29)14-16(2)18-11-7-4-8-12-18;/h3-12,15-16,19H,13-14H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29);/q;+1/p-2