2-methyl-4-(11-methyltridecan-3-yl)benzenesulfonate

Systemtic Name: 2-methyl-4-(11-methyltridecan-3-yl)benzenesulfonate Openeye Name: 4-(1-ethyl-9-methyl-undecyl)-2-methyl-benzenesulfonate CAS Name: 2-methyl-4-(11-methyltridecan-3-yl)benzenesulfonate IUPAC Name: 2-methyl-4-(11-methyltridecan-3-yl)benzenesulfonate Traditional Name: 4-(1-ethyl-9-methyl-undecyl)-2-methyl-besylate Formula: C21H35O3S- MolecularWeight: 367.5658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCCCC(CC)C1=CC(=C(C=C1)S(=O)(=O)[O-])C

Isomeric SMILES

CCC(C)CCCCCCCC(CC)C1=CC(=C(C=C1)S(=O)(=O)[O-])C

InChI

InChI=1S/C21H36O3S/c1-5-17(3)12-10-8-7-9-11-13-19(6-2)20-14-15-21(18(4)16-20)25(22,23)24/h14-17,19H,5-13H2,1-4H3,(H,22,23,24)/p-1