[2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyl-dodecyl] 4-dodecylbenzenesulfonate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyl-dodecyl] 4-dodecylbenzenesulfonate Openeye Name: [2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyl-dodecyl] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyldodecyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyldodecyl] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyl-dodecyl] ester Formula: C49H64ClNO3S2 MolecularWeight: 814.62036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCC(C2=NC3=CC=CC=C3S2)C(CC(CCCCCCC)C4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCC(C2=NC3=CC=CC=C3S2)C(CC(CCCCCCC)C4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C49H64ClNO3S2/c1-3-5-7-9-10-11-12-13-15-17-25-39-33-35-42(36-34-39)56(52,53)54-38-45(49-51-47-31-23-24-32-48(47)55-49)44(40-26-19-16-20-27-40)37-41(28-18-14-8-6-4-2)43-29-21-22-30-46(43)50/h16,19-24,26-27,29-36,41,44-45H,3-15,17-18,25,28,37-38H2,1-2H3