4-[(2E)-2-[1-oxidanylidene-6-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-[1-oxidanylidene-6-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-[6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]benzoic acid CAS Name: 4-[(2E)-2-[6-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-[6-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-[6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]-1-keto-3-sulfo-2-naphthylidene]hydrazino]benzoic acid Formula: C28H20N4O11S2 MolecularWeight: 652.6086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H20N4O11S2/c33-23-13-20(44(38,39)40)11-15-9-18(5-7-21(15)23)29-28(37)30-19-6-8-22-16(10-19)12-24(45(41,42)43)25(26(22)34)32-31-17-3-1-14(2-4-17)27(35)36/h1-13,31,33H,(H,35,36)(H2,29,30,37)(H,38,39,40)(H,41,42,43)/b32-25-