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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2NC(=O)NC3=C(C=CC4=CC=CC=C43)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2NC(=O)NC3=C(C=CC4=CC=CC=C43)S(=O)(=O)O)S(=O)(=O)O

InChI

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