sodium 4-(5-methylundecan-2-yl)benzenesulfonate

Systemtic Name: sodium 4-(5-methylundecan-2-yl)benzenesulfonate Openeye Name: sodium 4-(1,4-dimethyldecyl)benzenesulfonate CAS Name: sodium 4-(5-methylundecan-2-yl)benzenesulfonate IUPAC Name: sodium 4-(5-methylundecan-2-yl)benzenesulfonate Traditional Name: sodium 4-(1,4-dimethyldecyl)besylate Formula: C18H29NaO3S MolecularWeight: 348.47583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O3S.Na/c1-4-5-6-7-8-15(2)9-10-16(3)17-11-13-18(14-12-17)22(19,20)21;/h11-16H,4-10H2,1-3H3,(H,19,20,21);/q;+1/p-1