4-[2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]hydrazino]benzenesulfonic acid CAS Name: 4-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylhydrazo]benzenesulfonic acid IUPAC Name: 4-[2-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methyl]hydrazino]besylic acid Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNNC2=CC=C(C=C2)S(=O)(=O)O)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNNC2=CC=C(C=C2)S(=O)(=O)O)C1=O)CO

InChI

InChI=1S/C14H15N3O5S/c1-9-14(19)13(10(8-18)6-15-9)7-16-17-11-2-4-12(5-3-11)23(20,21)22/h2-7,16-18H,8H2,1H3,(H,20,21,22)