(4-chloranylcyclohexa-1,3-dien-1-yl)-(4-methylphenyl)sulfamic acid

Systemtic Name: (4-chloranylcyclohexa-1,3-dien-1-yl)-(4-methylphenyl)sulfamic acid Openeye Name: (4-chlorocyclohexa-1,3-dien-1-yl)-(p-tolyl)sulfamic acid CAS Name: (4-chloro-1-cyclohexa-1,3-dienyl)-(4-methylphenyl)sulfamic acid IUPAC Name: (4-chlorocyclohexa-1,3-dien-1-yl)-(4-methylphenyl)sulfamic acid Traditional Name: (4-chlorocyclohexa-1,3-dien-1-yl)-(p-tolyl)sulfamic acid Formula: C13H14ClNO3S MolecularWeight: 299.77316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(CC2)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(CC2)Cl)S(=O)(=O)O

InChI

InChI=1S/C13H14ClNO3S/c1-10-2-6-12(7-3-10)15(19(16,17)18)13-8-4-11(14)5-9-13/h2-4,6-8H,5,9H2,1H3,(H,16,17,18)