2-butyl-3-(6-methylheptyl)benzenesulfonate

Systemtic Name: 2-butyl-3-(6-methylheptyl)benzenesulfonate Openeye Name: 2-butyl-3-(6-methylheptyl)benzenesulfonate CAS Name: 2-butyl-3-(6-methylheptyl)benzenesulfonate IUPAC Name: 2-butyl-3-(6-methylheptyl)benzenesulfonate Traditional Name: 2-butyl-3-(6-methylheptyl)besylate Formula: C18H29O3S- MolecularWeight: 325.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1S(=O)(=O)[O-])CCCCCC(C)C

Isomeric SMILES

CCCCC1=C(C=CC=C1S(=O)(=O)[O-])CCCCCC(C)C

InChI

InChI=1S/C18H30O3S/c1-4-5-13-17-16(11-8-6-7-10-15(2)3)12-9-14-18(17)22(19,20)21/h9,12,14-15H,4-8,10-11,13H2,1-3H3,(H,19,20,21)/p-1