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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NC(=O)NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NC(=O)NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O

InChI

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