3-(1,3-benzothiazol-2-ylsulfanyl)-4-[(3,3-diethyl-2H-1,3-benzothiazol-3-ium-2-yl)sulfanyl]hexanedioic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-[(3,3-diethyl-2H-1,3-benzothiazol-3-ium-2-yl)sulfanyl]hexanedioic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-[(3,3-diethyl-2H-1,3-benzothiazol-3-ium-2-yl)sulfanyl]hexanedioic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)-4-[(3,3-diethyl-2H-1,3-benzothiazol-3-ium-2-yl)thio]hexanedioic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-[(3,3-diethyl-2H-1,3-benzothiazol-3-ium-2-yl)sulfanyl]hexanedioic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-4-[(3,3-diethyl-2H-1,3-benzothiazol-3-ium-2-yl)thio]adipic acid Formula: C24H27N2O4S4+ MolecularWeight: 535.74218

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(SC2=CC=CC=C21)SC(CC(=O)O)C(CC(=O)O)SC3=NC4=CC=CC=C4S3)CC

Isomeric SMILES

CC[N+]1(C(SC2=CC=CC=C21)SC(CC(=O)O)C(CC(=O)O)SC3=NC4=CC=CC=C4S3)CC

InChI

InChI=1S/C24H26N2O4S4/c1-3-26(4-2)16-10-6-8-12-18(16)33-24(26)34-20(14-22(29)30)19(13-21(27)28)32-23-25-15-9-5-7-11-17(15)31-23/h5-12,19-20,24H,3-4,13-14H2,1-2H3,(H-,27,28,29,30)/p+1