(5-methyl-1-oxidanyl-tridecan-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-methyl-1-oxidanyl-tridecan-4-yl) 4-methylbenzenesulfonate Openeye Name: [1-(3-hydroxypropyl)-2-methyl-decyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-hydroxy-5-methyltridecan-4-yl) ester IUPAC Name: (1-hydroxy-5-methyltridecan-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(3-hydroxypropyl)-2-methyl-decyl] ester Formula: C21H36O4S MolecularWeight: 384.57314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)C(CCCO)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCC(C)C(CCCO)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C21H36O4S/c1-4-5-6-7-8-9-11-19(3)21(12-10-17-22)25-26(23,24)20-15-13-18(2)14-16-20/h13-16,19,21-22H,4-12,17H2,1-3H3