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

Systemtic Name: 3-[1-(1,3-benzothiazol-2-ylsulfanyl)butyl]-2,2-dihexyl-butanedioate Openeye Name: 3-[1-(1,3-benzothiazol-2-ylsulfanyl)butyl]-2,2-dihexyl-butanedioate CAS Name: 3-[1-(1,3-benzothiazol-2-ylthio)butyl]-2,2-dihexylbutanedioate IUPAC Name: 3-[1-(1,3-benzothiazol-2-ylsulfanyl)butyl]-2,2-dihexylbutanedioate Traditional Name: 3-[1-(1,3-benzothiazol-2-ylthio)butyl]-2,2-dihexyl-succinate Formula: C27H39NO4S2-2 MolecularWeight: 505.73286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(C(C(CCC)SC1=NC2=CC=CC=C2S1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCC(CCCCCC)(C(C(CCC)SC1=NC2=CC=CC=C2S1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C27H41NO4S2/c1-4-7-9-13-18-27(25(31)32,19-14-10-8-5-2)23(24(29)30)22(15-6-3)34-26-28-20-16-11-12-17-21(20)33-26/h11-12,16-17,22-23H,4-10,13-15,18-19H2,1-3H3,(H,29,30)(H,31,32)/p-2