[2-(3-chloranyl-4-methyl-phenyl)-3-methyl-1-oxidanylidene-butan-2-yl] 4-tetradecan-6-ylbenzenesulfonate

Systemtic Name: [2-(3-chloranyl-4-methyl-phenyl)-3-methyl-1-oxidanylidene-butan-2-yl] 4-tetradecan-6-ylbenzenesulfonate Openeye Name: [1-(3-chloro-4-methyl-phenyl)-1-formyl-2-methyl-propyl] 4-(1-pentylnonyl)benzenesulfonate CAS Name: 4-tetradecan-6-ylbenzenesulfonic acid [2-(3-chloro-4-methylphenyl)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [2-(3-chloro-4-methylphenyl)-3-methyl-1-oxobutan-2-yl] 4-tetradecan-6-ylbenzenesulfonate Traditional Name: 4-(1-amylnonyl)benzenesulfonic acid [1-(3-chloro-4-methyl-phenyl)-1-formyl-2-methyl-propyl] ester Formula: C32H47ClO4S MolecularWeight: 563.23118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCC)C1=CC=C(C=C1)S(=O)(=O)OC(C=O)(C2=CC(=C(C=C2)C)Cl)C(C)C

Isomeric SMILES

CCCCCCCCC(CCCCC)C1=CC=C(C=C1)S(=O)(=O)OC(C=O)(C2=CC(=C(C=C2)C)Cl)C(C)C

InChI

InChI=1S/C32H47ClO4S/c1-6-8-10-11-12-14-16-27(15-13-9-7-2)28-18-21-30(22-19-28)38(35,36)37-32(24-34,25(3)4)29-20-17-26(5)31(33)23-29/h17-25,27H,6-16H2,1-5H3