12-bromanyldodecyl 4-methylbenzenesulfonate

Systemtic Name: 12-bromanyldodecyl 4-methylbenzenesulfonate Openeye Name: 12-bromododecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 12-bromododecyl ester IUPAC Name: 12-bromododecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 12-bromododecyl ester Formula: C19H31BrO3S MolecularWeight: 419.41664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCBr

InChI

InChI=1S/C19H31BrO3S/c1-18-12-14-19(15-13-18)24(21,22)23-17-11-9-7-5-3-2-4-6-8-10-16-20/h12-15H,2-11,16-17H2,1H3