2-(1,3-benzothiazol-2-yl)-2,3-bis(6-methylheptyl)butanebis(thioate)

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(6-methylheptyl)butanebis(thioate) Openeye Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(6-methylheptyl)butanebis(thioate) CAS Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(6-methylheptyl)butanebis(thioate) IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(6-methylheptyl)butanebis(thioate) Traditional Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(6-methylheptyl)butanebis(thioate) Formula: C27H39NO2S3-2 MolecularWeight: 505.79906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(C(=S)[O-])C(CCCCCC(C)C)(C1=NC2=CC=CC=C2S1)C(=S)[O-]

Isomeric SMILES

CC(C)CCCCCC(C(=S)[O-])C(CCCCCC(C)C)(C1=NC2=CC=CC=C2S1)C(=S)[O-]

InChI

InChI=1S/C27H41NO2S3/c1-19(2)13-7-5-9-15-21(24(29)31)27(26(30)32,18-12-6-8-14-20(3)4)25-28-22-16-10-11-17-23(22)33-25/h10-11,16-17,19-21H,5-9,12-15,18H2,1-4H3,(H,29,31)(H,30,32)/p-2