(3E)-5-(aminomethyl)-3-cyclohexa-2,4-dien-1-ylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: (3E)-5-(aminomethyl)-3-cyclohexa-2,4-dien-1-ylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: (3E)-5-(aminomethyl)-3-cyclohexa-2,4-dien-1-ylidene-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: (3E)-5-(aminomethyl)-3-(1-cyclohexa-2,4-dienylidene)-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: (3E)-5-(aminomethyl)-3-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-diene-1-sulfonic acid Traditional Name: (3E)-5-(aminomethyl)-3-cyclohexa-2,4-dien-1-ylidene-cyclohexa-1,5-diene-1-sulfonic acid Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1=C2CC(=CC(=C2)S(=O)(=O)O)CN

Isomeric SMILES

C\1C=CC=C/C1=C/2\CC(=CC(=C2)S(=O)(=O)O)CN

InChI

InChI=1S/C13H15NO3S/c14-9-10-6-12(11-4-2-1-3-5-11)8-13(7-10)18(15,16)17/h1-4,7-8H,5-6,9,14H2,(H,15,16,17)/b12-11-