sodium 4-(7-methyltridecan-2-yl)benzenesulfonate

Systemtic Name: sodium 4-(7-methyltridecan-2-yl)benzenesulfonate Openeye Name: sodium 4-(1,6-dimethyldodecyl)benzenesulfonate CAS Name: sodium 4-(7-methyltridecan-2-yl)benzenesulfonate IUPAC Name: sodium 4-(7-methyltridecan-2-yl)benzenesulfonate Traditional Name: sodium 4-(1,6-dimethyldodecyl)besylate Formula: C20H33NaO3S MolecularWeight: 376.52899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O3S.Na/c1-4-5-6-7-10-17(2)11-8-9-12-18(3)19-13-15-20(16-14-19)24(21,22)23;/h13-18H,4-12H2,1-3H3,(H,21,22,23);/q;+1/p-1