4-[(6-azanyl-5-sulfo-naphthalen-1-yl)sulfonylamino]phthalic acid

Systemtic Name: 4-[(6-azanyl-5-sulfo-naphthalen-1-yl)sulfonylamino]phthalic acid Openeye Name: 4-[(6-amino-5-sulfo-1-naphthyl)sulfonylamino]phthalic acid CAS Name: 4-[(6-amino-5-sulfo-1-naphthalenyl)sulfonylamino]phthalic acid IUPAC Name: 4-[(6-amino-5-sulfonaphthalen-1-yl)sulfonylamino]phthalic acid Traditional Name: 4-[(6-amino-5-sulfo-1-naphthyl)sulfonylamino]phthalic acid Formula: C18H14N2O9S2 MolecularWeight: 466.44176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)NC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)NC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14N2O9S2/c19-14-7-6-10-11(16(14)31(27,28)29)2-1-3-15(10)30(25,26)20-9-4-5-12(17(21)22)13(8-9)18(23)24/h1-8,20H,19H2,(H,21,22)(H,23,24)(H,27,28,29)