2-[4-[(2E)-2-(5-iodanyl-4-methoxycarbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-[4-[(2E)-2-(5-iodanyl-4-methoxycarbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-[4-[(2E)-2-(5-iodo-4-methoxycarbonyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-[4-[(2E)-2-(5-iodo-4-methoxycarbonyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[4-[(2E)-2-(5-iodo-4-methoxycarbonyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-[4-[(N'E)-N'-(4-carbomethoxy-5-iodo-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C22H16IN3O6S2 MolecularWeight: 609.41341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=C4C=CC(=C(C4=O)I)C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N/N=C/4\C=CC(=C(C4=O)I)C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C22H16IN3O6S2/c1-11-3-9-16-19(20(11)34(29,30)31)33-21(24-16)12-4-6-13(7-5-12)25-26-15-10-8-14(22(28)32-2)17(23)18(15)27/h3-10,25H,1-2H3,(H,29,30,31)/b26-15+