2-[(2Z)-2-[6-(methylamino)-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]-4-sulfo-benzoic acid

Systemtic Name: 2-[(2Z)-2-[6-(methylamino)-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]-4-sulfo-benzoic acid Openeye Name: 2-[(2Z)-2-[6-(methylamino)-1-oxo-3-sulfo-2-naphthylidene]hydrazino]-4-sulfo-benzoic acid CAS Name: 2-[(2Z)-2-[6-(methylamino)-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]-4-sulfobenzoic acid IUPAC Name: 2-[(2Z)-2-[6-(methylamino)-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]-4-sulfobenzoic acid Traditional Name: 2-[(N'Z)-N'-[1-keto-6-(methylamino)-3-sulfo-2-naphthylidene]hydrazino]-4-sulfo-benzoic acid Formula: C18H15N3O9S2 MolecularWeight: 481.4564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C(=O)C(=NNC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O)C(=C2)S(=O)(=O)O

Isomeric SMILES

CNC1=CC2=C(C=C1)C(=O)/C(=N/NC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O)/C(=C2)S(=O)(=O)O

InChI

InChI=1S/C18H15N3O9S2/c1-19-10-2-4-12-9(6-10)7-15(32(28,29)30)16(17(12)22)21-20-14-8-11(31(25,26)27)3-5-13(14)18(23)24/h2-8,19-20H,1H3,(H,23,24)(H,25,26,27)(H,28,29,30)/b21-16+