6-methyloctyl 4-methyl-3-oxidanyl-benzenesulfonate

Systemtic Name: 6-methyloctyl 4-methyl-3-oxidanyl-benzenesulfonate Openeye Name: 6-methyloctyl 3-hydroxy-4-methyl-benzenesulfonate CAS Name: 3-hydroxy-4-methylbenzenesulfonic acid 6-methyloctyl ester IUPAC Name: 6-methyloctyl 3-hydroxy-4-methylbenzenesulfonate Traditional Name: 3-hydroxy-4-methyl-benzenesulfonic acid 6-methyloctyl ester Formula: C16H26O4S MolecularWeight: 314.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCOS(=O)(=O)C1=CC(=C(C=C1)C)O

Isomeric SMILES

CCC(C)CCCCCOS(=O)(=O)C1=CC(=C(C=C1)C)O

InChI

InChI=1S/C16H26O4S/c1-4-13(2)8-6-5-7-11-20-21(18,19)15-10-9-14(3)16(17)12-15/h9-10,12-13,17H,4-8,11H2,1-3H3