sodium 2,3-bis(4-phenylbutyl)-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-bis(4-phenylbutyl)-2-sulfo-butanedioate Openeye Name: sodium 2,3-bis(4-phenylbutyl)-2-sulfo-butanedioate CAS Name: sodium 2,3-bis(4-phenylbutyl)-2-sulfobutanedioate IUPAC Name: sodium 2,3-bis(4-phenylbutyl)-2-sulfobutanedioate Traditional Name: sodium 2,3-bis(4-phenylbutyl)-2-sulfo-succinate Formula: C24H28NaO7S- MolecularWeight: 483.52969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(C(=O)[O-])C(CCCCC2=CC=CC=C2)(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(C(=O)[O-])C(CCCCC2=CC=CC=C2)(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C24H30O7S.Na/c25-22(26)21(17-8-7-15-19-11-3-1-4-12-19)24(23(27)28,32(29,30)31)18-10-9-16-20-13-5-2-6-14-20;/h1-6,11-14,21H,7-10,15-18H2,(H,25,26)(H,27,28)(H,29,30,31);/q;+1/p-2