5-[(3,4-dichlorophenyl)carbonylamino]-4-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: 5-[(3,4-dichlorophenyl)carbonylamino]-4-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 5-[(3,4-dichlorobenzoyl)amino]-4-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 5-[[(3,4-dichlorophenyl)-oxomethyl]amino]-4-hydroxy-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 5-[(3,4-dichlorobenzoyl)amino]-4-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 5-[(3,4-dichlorobenzoyl)amino]-4-hydroxy-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C17H11Cl2NO8S2 MolecularWeight: 492.30714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=C3C(=CC(=C2)SOOO)C=C(C=C3O)S(=O)(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=C3C(=CC(=C2)SOOO)C=C(C=C3O)S(=O)(=O)O)Cl)Cl

InChI

InChI=1S/C17H11Cl2NO8S2/c18-12-2-1-8(5-13(12)19)17(22)20-14-6-10(29-28-27-23)3-9-4-11(30(24,25)26)7-15(21)16(9)14/h1-7,21,23H,(H,20,22)(H,24,25,26)