2-hexadecoxy-4-methyl-benzenesulfonic acid

Systemtic Name: 2-hexadecoxy-4-methyl-benzenesulfonic acid Openeye Name: 2-hexadecoxy-4-methyl-benzenesulfonic acid CAS Name: 2-hexadecoxy-4-methylbenzenesulfonic acid IUPAC Name: 2-hexadecoxy-4-methylbenzenesulfonic acid Traditional Name: 2-cetyloxy-4-methyl-besylic acid Formula: C23H40O4S MolecularWeight: 412.6263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C)S(=O)(=O)O

InChI

InChI=1S/C23H40O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-22-20-21(2)17-18-23(22)28(24,25)26/h17-18,20H,3-16,19H2,1-2H3,(H,24,25,26)