6-(6-azanyl-2,5-disulfo-cyclohexa-1,5-dien-1-yl)naphthalene-1,3-disulfonic acid

Systemtic Name: 6-(6-azanyl-2,5-disulfo-cyclohexa-1,5-dien-1-yl)naphthalene-1,3-disulfonic acid Openeye Name: 6-(6-amino-2,5-disulfo-cyclohexa-1,5-dien-1-yl)naphthalene-1,3-disulfonic acid CAS Name: 6-(6-amino-2,5-disulfo-1-cyclohexa-1,5-dienyl)naphthalene-1,3-disulfonic acid IUPAC Name: 6-(6-amino-2,5-disulfocyclohexa-1,5-dien-1-yl)naphthalene-1,3-disulfonic acid Traditional Name: 6-(6-amino-2,5-disulfo-cyclohexa-1,5-dien-1-yl)naphthalene-1,3-disulfonic acid Formula: C16H15NO12S4 MolecularWeight: 541.5498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1S(=O)(=O)O)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1CC(=C(C(=C1S(=O)(=O)O)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C16H15NO12S4/c17-16-13(32(24,25)26)4-3-12(31(21,22)23)15(16)8-1-2-11-9(5-8)6-10(30(18,19)20)7-14(11)33(27,28)29/h1-2,5-7H,3-4,17H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)