5-(methylamino)-2-oxidanyl-3-[2-[2-[(6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]naphthalen-1-yl]hydrazinyl]benzenesulfonic acid

Systemtic Name: 5-(methylamino)-2-oxidanyl-3-[2-[2-[(6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]naphthalen-1-yl]hydrazinyl]benzenesulfonic acid Openeye Name: 2-hydroxy-5-(methylamino)-3-[2-[2-[(6-oxo-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-1-naphthyl]hydrazino]benzenesulfonic acid CAS Name: 2-hydroxy-5-(methylamino)-3-[[2-[(6-oxo-3-sulfo-1-cyclohexa-2,4-dienylidene)amino]-1-naphthalenyl]hydrazo]benzenesulfonic acid IUPAC Name: 2-hydroxy-5-(methylamino)-3-[2-[2-[(6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)amino]naphthalen-1-yl]hydrazinyl]benzenesulfonic acid Traditional Name: 2-hydroxy-3-[N'-[2-[(6-keto-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-1-naphthyl]hydrazino]-5-(methylamino)besylic acid Formula: C23H20N4O8S2 MolecularWeight: 544.5569

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C(=C1)S(=O)(=O)O)O)NNC2=C(C=CC3=CC=CC=C32)N=C4C=C(C=CC4=O)S(=O)(=O)O

Isomeric SMILES

CNC1=CC(=C(C(=C1)S(=O)(=O)O)O)NNC2=C(C=CC3=CC=CC=C32)N=C4C=C(C=CC4=O)S(=O)(=O)O

InChI

InChI=1S/C23H20N4O8S2/c1-24-14-10-19(23(29)21(11-14)37(33,34)35)26-27-22-16-5-3-2-4-13(16)6-8-17(22)25-18-12-15(36(30,31)32)7-9-20(18)28/h2-12,24,26-27,29H,1H3,(H,30,31,32)(H,33,34,35)