dihexyl 2-[1,3-benzothiazol-2-ylsulfanyl(diphenyl)methyl]butanedioate

Systemtic Name: dihexyl 2-[1,3-benzothiazol-2-ylsulfanyl(diphenyl)methyl]butanedioate Openeye Name: dihexyl 2-[1,3-benzothiazol-2-ylsulfanyl(diphenyl)methyl]butanedioate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)-diphenylmethyl]butanedioic acid dihexyl ester IUPAC Name: dihexyl 2-[1,3-benzothiazol-2-ylsulfanyl(diphenyl)methyl]butanedioate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)-diphenyl-methyl]succinic acid dihexyl ester Formula: C36H43NO4S2 MolecularWeight: 617.86092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C(=O)OCCCCCC)C(C1=CC=CC=C1)(C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCCOC(=O)CC(C(=O)OCCCCCC)C(C1=CC=CC=C1)(C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C36H43NO4S2/c1-3-5-7-17-25-40-33(38)27-30(34(39)41-26-18-8-6-4-2)36(28-19-11-9-12-20-28,29-21-13-10-14-22-29)43-35-37-31-23-15-16-24-32(31)42-35/h9-16,19-24,30H,3-8,17-18,25-27H2,1-2H3