8-oxidanylnaphthalene-2-sulfonic acid; phenylmethanamine

Systemtic Name: 8-oxidanylnaphthalene-2-sulfonic acid; phenylmethanamine Openeye Name: 8-hydroxynaphthalene-2-sulfonic acid; phenylmethanamine CAS Name: 8-hydroxy-2-naphthalenesulfonic acid; phenylmethanamine IUPAC Name: 8-hydroxynaphthalene-2-sulfonic acid; phenylmethanamine Traditional Name: benzylamine; 8-hydroxynaphthalene-2-sulfonic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN.C1=CC2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)O

Isomeric SMILES

C1=CC=C(C=C1)CN.C1=CC2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)O

InChI

InChI=1S/C10H8O4S.C7H9N/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14;8-6-7-4-2-1-3-5-7/h1-6,11H,(H,12,13,14);1-5H,6,8H2