2-[(2Z)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 2-[(2Z)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 2-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)-2-pyridylidene]hydrazino]benzenesulfonic acid CAS Name: 2-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)-2-pyridinylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 2-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 2-[(N'Z)-N'-[4-formyl-5-keto-6-methyl-3-(phosphonooxymethyl)-2-pyridylidene]hydrazino]besylic acid Formula: C14H14N3O9PS MolecularWeight: 431.314421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NNC2=CC=CC=C2S(=O)(=O)O)C(=C(C1=O)C=O)COP(=O)(O)O

Isomeric SMILES

CC1=N/C(=N\NC2=CC=CC=C2S(=O)(=O)O)/C(=C(C1=O)C=O)COP(=O)(O)O

InChI

InChI=1S/C14H14N3O9PS/c1-8-13(19)9(6-18)10(7-26-27(20,21)22)14(15-8)17-16-11-4-2-3-5-12(11)28(23,24)25/h2-6,16H,7H2,1H3,(H2,20,21,22)(H,23,24,25)/b17-14-