4-[(4-cyanophenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(4-cyanophenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(4-cyanobenzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[(4-cyanophenyl)-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(4-cyanobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(4-cyanobenzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C18H12N2O8S2 MolecularWeight: 448.42648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C18H12N2O8S2/c19-9-10-1-3-11(4-2-10)18(22)20-15-7-13(29(23,24)25)5-12-6-14(30(26,27)28)8-16(21)17(12)15/h1-8,21H,(H,20,22)(H,23,24,25)(H,26,27,28)