3-[(5-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-1-sulfonic acid

Systemtic Name: 3-[(5-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-1-sulfonic acid Openeye Name: 3-[(5-sulfo-2-naphthyl)carbamoylamino]naphthalene-1-sulfonic acid CAS Name: 3-[[oxo-[(5-sulfo-2-naphthalenyl)amino]methyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 3-[(5-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-1-sulfonic acid Traditional Name: 3-[(5-sulfo-2-naphthyl)carbamoylamino]naphthalene-1-sulfonic acid Formula: C21H16N2O7S2 MolecularWeight: 472.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=C2S(=O)(=O)O)NC(=O)NC3=CC4=C(C=C3)C(=CC=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=C2S(=O)(=O)O)NC(=O)NC3=CC4=C(C=C3)C(=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O7S2/c24-21(22-15-8-9-18-14(10-15)5-3-7-19(18)31(25,26)27)23-16-11-13-4-1-2-6-17(13)20(12-16)32(28,29)30/h1-12H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)