[4-chloranylsulfonyl-2-[3-(5,5-dimethyloctadecyl)-1,3-thiazolidin-2-yl]phenyl] benzoate

Systemtic Name: [4-chloranylsulfonyl-2-[3-(5,5-dimethyloctadecyl)-1,3-thiazolidin-2-yl]phenyl] benzoate Openeye Name: [4-chlorosulfonyl-2-[3-(5,5-dimethyloctadecyl)thiazolidin-2-yl]phenyl] benzoate CAS Name: benzoic acid [4-chlorosulfonyl-2-[3-(5,5-dimethyloctadecyl)-2-thiazolidinyl]phenyl] ester IUPAC Name: [4-chlorosulfonyl-2-[3-(5,5-dimethyloctadecyl)-1,3-thiazolidin-2-yl]phenyl] benzoate Traditional Name: benzoic acid [4-chlorosulfonyl-2-[3-(5,5-dimethyloctadecyl)thiazolidin-2-yl]phenyl] ester Formula: C36H54ClNO4S2 MolecularWeight: 664.40126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)(C)CCCCN1CCSC1C2=C(C=CC(=C2)S(=O)(=O)Cl)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCC(C)(C)CCCCN1CCSC1C2=C(C=CC(=C2)S(=O)(=O)Cl)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C36H54ClNO4S2/c1-4-5-6-7-8-9-10-11-12-13-17-24-36(2,3)25-18-19-26-38-27-28-43-34(38)32-29-31(44(37,40)41)22-23-33(32)42-35(39)30-20-15-14-16-21-30/h14-16,20-23,29,34H,4-13,17-19,24-28H2,1-3H3