3-azanyl-4,4-dimethyl-6-phenyl-cyclohexa-1,5-diene-1,3-disulfonic acid

Systemtic Name: 3-azanyl-4,4-dimethyl-6-phenyl-cyclohexa-1,5-diene-1,3-disulfonic acid Openeye Name: 3-amino-4,4-dimethyl-6-phenyl-cyclohexa-1,5-diene-1,3-disulfonic acid CAS Name: 3-amino-4,4-dimethyl-6-phenylcyclohexa-1,5-diene-1,3-disulfonic acid IUPAC Name: 3-amino-4,4-dimethyl-6-phenylcyclohexa-1,5-diene-1,3-disulfonic acid Traditional Name: 3-amino-4,4-dimethyl-6-phenyl-cyclohexa-1,5-diene-1,3-disulfonic acid Formula: C14H17NO6S2 MolecularWeight: 359.41788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(=CC1(N)S(=O)(=O)O)S(=O)(=O)O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(C=C(C(=CC1(N)S(=O)(=O)O)S(=O)(=O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C14H17NO6S2/c1-13(2)8-11(10-6-4-3-5-7-10)12(22(16,17)18)9-14(13,15)23(19,20)21/h3-9H,15H2,1-2H3,(H,16,17,18)(H,19,20,21)