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

Systemtic Name: 2-[4-[(2E)-2-(3-iodanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-[4-[(2E)-2-(3-iodo-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-[4-[(2E)-2-(3-iodo-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[4-[(2E)-2-(3-iodo-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-[4-[(N'E)-N'-(3-iodo-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C20H14IN3O4S2 MolecularWeight: 551.37733

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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(=O)C(=C4)I)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(=O)C(=C4)I)S(=O)(=O)O

InChI

InChI=1S/C20H14IN3O4S2/c1-11-2-8-16-18(19(11)30(26,27)28)29-20(22-16)12-3-5-13(6-4-12)23-24-14-7-9-17(25)15(21)10-14/h2-10,23H,1H3,(H,26,27,28)/b24-14+