sodium 2,3-bis(2,2-dimethyl-3-phenyl-propyl)-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-bis(2,2-dimethyl-3-phenyl-propyl)-2-sulfo-butanedioate Openeye Name: sodium 2,3-bis(2,2-dimethyl-3-phenyl-propyl)-2-sulfo-butanedioate CAS Name: sodium 2,3-bis(2,2-dimethyl-3-phenylpropyl)-2-sulfobutanedioate IUPAC Name: sodium 2,3-bis(2,2-dimethyl-3-phenylpropyl)-2-sulfobutanedioate Traditional Name: sodium 2,3-bis(2,2-dimethyl-3-phenyl-propyl)-2-sulfo-succinate Formula: C26H32NaO7S- MolecularWeight: 511.58285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)CC(C(=O)[O-])C(CC(C)(C)CC2=CC=CC=C2)(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)CC(C(=O)[O-])C(CC(C)(C)CC2=CC=CC=C2)(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C26H34O7S.Na/c1-24(2,15-19-11-7-5-8-12-19)17-21(22(27)28)26(23(29)30,34(31,32)33)18-25(3,4)16-20-13-9-6-10-14-20;/h5-14,21H,15-18H2,1-4H3,(H,27,28)(H,29,30)(H,31,32,33);/q;+1/p-2