11-bromanylundecyl 4-methylbenzenesulfonate

Systemtic Name: 11-bromanylundecyl 4-methylbenzenesulfonate Openeye Name: 11-bromoundecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 11-bromoundecyl ester IUPAC Name: 11-bromoundecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 11-bromoundecyl ester Formula: C18H29BrO3S MolecularWeight: 405.39006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BrO3S/c1-17-11-13-18(14-12-17)23(20,21)22-16-10-8-6-4-2-3-5-7-9-15-19/h11-14H,2-10,15-16H2,1H3