[1,2-bis(3-chloranyl-4-methyl-phenyl)-2-oxidanylidene-ethyl] 4-nonan-4-ylbenzenesulfonate

Systemtic Name: [1,2-bis(3-chloranyl-4-methyl-phenyl)-2-oxidanylidene-ethyl] 4-nonan-4-ylbenzenesulfonate Openeye Name: [1,2-bis(3-chloro-4-methyl-phenyl)-2-oxo-ethyl] 4-(1-propylhexyl)benzenesulfonate CAS Name: 4-nonan-4-ylbenzenesulfonic acid [1,2-bis(3-chloro-4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(3-chloro-4-methylphenyl)-2-oxoethyl] 4-nonan-4-ylbenzenesulfonate Traditional Name: 4-(1-propylhexyl)benzenesulfonic acid [1,2-bis(3-chloro-4-methyl-phenyl)-2-keto-ethyl] ester Formula: C31H36Cl2O4S MolecularWeight: 575.58614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)C1=CC=C(C=C1)S(=O)(=O)OC(C2=CC(=C(C=C2)C)Cl)C(=O)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCCCC(CCC)C1=CC=C(C=C1)S(=O)(=O)OC(C2=CC(=C(C=C2)C)Cl)C(=O)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C31H36Cl2O4S/c1-5-7-8-10-23(9-6-2)24-15-17-27(18-16-24)38(35,36)37-31(26-14-12-22(4)29(33)20-26)30(34)25-13-11-21(3)28(32)19-25/h11-20,23,31H,5-10H2,1-4H3