3,7,11-trimethyldodecyl 4-methylbenzenesulfonate

Systemtic Name: 3,7,11-trimethyldodecyl 4-methylbenzenesulfonate Openeye Name: 3,7,11-trimethyldodecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,7,11-trimethyldodecyl ester IUPAC Name: 3,7,11-trimethyldodecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,7,11-trimethyldodecyl ester Formula: C22H38O3S MolecularWeight: 382.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C22H38O3S/c1-18(2)8-6-9-19(3)10-7-11-20(4)16-17-25-26(23,24)22-14-12-21(5)13-15-22/h12-15,18-20H,6-11,16-17H2,1-5H3