methyl 4-dodecyl-3-methyl-2-propanoyl-benzenesulfonate

Systemtic Name: methyl 4-dodecyl-3-methyl-2-propanoyl-benzenesulfonate Openeye Name: methyl 4-dodecyl-3-methyl-2-propanoyl-benzenesulfonate CAS Name: 4-dodecyl-3-methyl-2-(1-oxopropyl)benzenesulfonic acid methyl ester IUPAC Name: methyl 4-dodecyl-3-methyl-2-propanoylbenzenesulfonate Traditional Name: 4-lauryl-3-methyl-2-propionyl-benzenesulfonic acid methyl ester Formula: C23H38O4S MolecularWeight: 410.61042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O4S/c1-5-7-8-9-10-11-12-13-14-15-16-20-17-18-22(28(25,26)27-4)23(19(20)3)21(24)6-2/h17-18H,5-16H2,1-4H3