2-azanylbenzenethiol; 7-azanylnaphthalene-1,3-disulfonic acid; sodium

Systemtic Name: 2-azanylbenzenethiol; 7-azanylnaphthalene-1,3-disulfonic acid; sodium Openeye Name: 2-aminobenzenethiol; 7-aminonaphthalene-1,3-disulfonic acid; sodium CAS Name: 2-aminobenzenethiol; 7-aminonaphthalene-1,3-disulfonic acid; sodium IUPAC Name: 2-aminobenzenethiol; 7-aminonaphthalene-1,3-disulfonic acid; sodium Traditional Name: 2-aminobenzenethiol; 7-aminonaphthalene-1,3-disulfonic acid; sodium Formula: C16H16N2NaO6S3 MolecularWeight: 451.49281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)S.C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N.[Na]

Isomeric SMILES

C1=CC=C(C(=C1)N)S.C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N.[Na]

InChI

InChI=1S/C10H9NO6S2.C6H7NS.Na/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;7-5-3-1-2-4-6(5)8;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);1-4,8H,7H2;