methyl 2,3-didodecylbenzenesulfonate

Systemtic Name: methyl 2,3-didodecylbenzenesulfonate Openeye Name: methyl 2,3-didodecylbenzenesulfonate CAS Name: 2,3-didodecylbenzenesulfonic acid methyl ester IUPAC Name: methyl 2,3-didodecylbenzenesulfonate Traditional Name: 2,3-dilaurylbenzenesulfonic acid methyl ester Formula: C31H56O3S MolecularWeight: 508.83954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)OC)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)OC)CCCCCCCCCCCC

InChI

InChI=1S/C31H56O3S/c1-4-6-8-10-12-14-16-18-20-22-25-29-26-24-28-31(35(32,33)34-3)30(29)27-23-21-19-17-15-13-11-9-7-5-2/h24,26,28H,4-23,25,27H2,1-3H3