tetrasodium 2,3-dioctyl-2-sulfonato-butanedioate benzoate

Systemtic Name: tetrasodium 2,3-dioctyl-2-sulfonato-butanedioate benzoate Openeye Name: tetrasodium 2,3-dioctyl-2-sulfonato-butanedioate benzoate CAS Name: tetrasodium 2,3-dioctyl-2-sulfonatobutanedioate benzoate IUPAC Name: tetrasodium 2,3-dioctyl-2-sulfonatobutanedioate benzoate Traditional Name: tetrasodium 2,3-dioctyl-2-sulfonato-succinate benzoate Formula: C27H40Na4O9S MolecularWeight: 632.62518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.C7H6O2.4Na/c1-3-5-7-9-11-13-15-17(18(21)22)20(19(23)24,28(25,26)27)16-14-12-10-8-6-4-2;8-7(9)6-4-2-1-3-5-6;;;;/h17H,3-16H2,1-2H3,(H,21,22)(H,23,24)(H,25,26,27);1-5H,(H,8,9);;;;/q;;4*+1/p-4