2-(1,3-benzothiazol-2-yl)-2,3-bis(2-ethylhexyl)butanebis(thioic S-acid)

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(2-ethylhexyl)butanebis(thioic S-acid) Openeye Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(2-ethylhexyl)butanebis(thioic S-acid) CAS Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(2-ethylhexyl)butanebis(thioic S-acid) IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(2-ethylhexyl)butanebis(thioic S-acid) Traditional Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(2-ethylhexyl)butanebis(thioic S-acid) Formula: C27H41NO2S3 MolecularWeight: 507.81494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(=O)S)C(CC(CC)CCCC)(C1=NC2=CC=CC=C2S1)C(=O)S

Isomeric SMILES

CCCCC(CC)CC(C(=O)S)C(CC(CC)CCCC)(C1=NC2=CC=CC=C2S1)C(=O)S

InChI

InChI=1S/C27H41NO2S3/c1-5-9-13-19(7-3)17-21(24(29)31)27(26(30)32,18-20(8-4)14-10-6-2)25-28-22-15-11-12-16-23(22)33-25/h11-12,15-16,19-21H,5-10,13-14,17-18H2,1-4H3,(H,29,31)(H,30,32)