8-[(3-aminophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(3-aminophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(3-aminophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[(3-aminophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(3-aminophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(3-aminobenzyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid Formula: C17H16N2O11S4 MolecularWeight: 552.57574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CS(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)CS(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H16N2O11S4/c18-12-3-1-2-10(4-12)9-31(20,21)19-15-7-13(32(22,23)24)5-11-6-14(33(25,26)27)8-16(17(11)15)34(28,29)30/h1-8,19H,9,18H2,(H,22,23,24)(H,25,26,27)(H,28,29,30)