8-[[4-(4-sulfophenyl)phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[4-(4-sulfophenyl)phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[4-(4-sulfophenyl)phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[4-(4-sulfophenyl)phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[4-(4-sulfophenyl)phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[4-(4-sulfophenyl)phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Formula: C22H17NO14S5 MolecularWeight: 679.69368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H17NO14S5/c24-38(25,16-5-1-13(2-6-16)14-3-7-17(8-4-14)39(26,27)28)23-20-11-18(40(29,30)31)9-15-10-19(41(32,33)34)12-21(22(15)20)42(35,36)37/h1-12,23H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)