4-dodecan-2-ylbenzenesulfonic acid; sodium

Systemtic Name: 4-dodecan-2-ylbenzenesulfonic acid; sodium Openeye Name: 4-(1-methylundecyl)benzenesulfonic acid; sodium CAS Name: 4-dodecan-2-ylbenzenesulfonic acid; sodium IUPAC Name: 4-dodecan-2-ylbenzenesulfonic acid; sodium Traditional Name: 4-(1-methylundecyl)besylic acid; sodium Formula: C18H30NaO3S MolecularWeight: 349.48377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)O.[Na]

Isomeric SMILES

CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)O.[Na]

InChI

InChI=1S/C18H30O3S.Na/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);