3-heptan-2-yl-4-methyl-benzenesulfonic acid

Systemtic Name: 3-heptan-2-yl-4-methyl-benzenesulfonic acid Openeye Name: 4-methyl-3-(1-methylhexyl)benzenesulfonic acid CAS Name: 3-heptan-2-yl-4-methylbenzenesulfonic acid IUPAC Name: 3-heptan-2-yl-4-methylbenzenesulfonic acid Traditional Name: 4-methyl-3-(1-methylhexyl)besylic acid Formula: C14H22O3S MolecularWeight: 270.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=C(C=CC(=C1)S(=O)(=O)O)C

Isomeric SMILES

CCCCCC(C)C1=C(C=CC(=C1)S(=O)(=O)O)C

InChI

InChI=1S/C14H22O3S/c1-4-5-6-7-11(2)14-10-13(18(15,16)17)9-8-12(14)3/h8-11H,4-7H2,1-3H3,(H,15,16,17)