4-[(4-sulfonaphthalen-1-yl)carbamoylamino]naphthalene-1-sulfonic acid

Systemtic Name: 4-[(4-sulfonaphthalen-1-yl)carbamoylamino]naphthalene-1-sulfonic acid Openeye Name: 4-[(4-sulfo-1-naphthyl)carbamoylamino]naphthalene-1-sulfonic acid CAS Name: 4-[[oxo-[(4-sulfo-1-naphthalenyl)amino]methyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-[(4-sulfonaphthalen-1-yl)carbamoylamino]naphthalene-1-sulfonic acid Traditional Name: 4-[(4-sulfo-1-naphthyl)carbamoylamino]naphthalene-1-sulfonic acid Formula: C21H16N2O7S2 MolecularWeight: 472.49094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NC(=O)NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NC(=O)NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

InChI

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