[(5E)-5-cyclohexa-2,4-dien-1-ylidene-3-sulfo-cyclohexa-1,3-dien-1-yl]methylazanium

Systemtic Name: [(5E)-5-cyclohexa-2,4-dien-1-ylidene-3-sulfo-cyclohexa-1,3-dien-1-yl]methylazanium Openeye Name: [(5E)-5-cyclohexa-2,4-dien-1-ylidene-3-sulfo-cyclohexa-1,3-dien-1-yl]methylammonium CAS Name: [(5E)-5-(1-cyclohexa-2,4-dienylidene)-3-sulfo-1-cyclohexa-1,3-dienyl]methylammonium IUPAC Name: [(5E)-5-cyclohexa-2,4-dien-1-ylidene-3-sulfocyclohexa-1,3-dien-1-yl]methylazanium Traditional Name: [(5E)-5-cyclohexa-2,4-dien-1-ylidene-3-sulfo-cyclohexa-1,3-dien-1-yl]methylammonium Formula: C13H16NO3S+ MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1=C2CC(=CC(=C2)S(=O)(=O)O)C[NH3+]

Isomeric SMILES

C\1C=CC=C/C1=C/2\CC(=CC(=C2)S(=O)(=O)O)C[NH3+]

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)/p+1/b12-11-