4-[(3-chlorophenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[(3-chlorophenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[(3-chlorobenzoyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[(3-chlorophenyl)-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[(3-chlorobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[(3-chlorobenzoyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C17H12ClNO8S2 MolecularWeight: 457.86208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C17H12ClNO8S2/c18-10-3-1-2-9(6-10)17(21)19-13-4-5-15(29(25,26)27)12-7-11(28(22,23)24)8-14(20)16(12)13/h1-8,20H,(H,19,21)(H,22,23,24)(H,25,26,27)