3,5-bis(iodanyl)-4-[(2E)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 3,5-bis(iodanyl)-4-[(2E)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid Openeye Name: 3,5-diiodo-4-[(2E)-2-(1-oxo-4-sulfo-2-naphthylidene)hydrazino]benzoic acid CAS Name: 3,5-diiodo-4-[(2E)-2-(1-oxo-4-sulfo-2-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 3,5-diiodo-4-[(2E)-2-(1-oxo-4-sulfonaphthalen-2-ylidene)hydrazinyl]benzoic acid Traditional Name: 3,5-diiodo-4-[(N'E)-N'-(1-keto-4-sulfo-2-naphthylidene)hydrazino]benzoic acid Formula: C17H10I2N2O6S MolecularWeight: 624.14504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=NNC3=C(C=C(C=C3I)C(=O)O)I)C2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C/C(=N\NC3=C(C=C(C=C3I)C(=O)O)I)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C17H10I2N2O6S/c18-11-5-8(17(23)24)6-12(19)15(11)21-20-13-7-14(28(25,26)27)9-3-1-2-4-10(9)16(13)22/h1-7,21H,(H,23,24)(H,25,26,27)/b20-13+