[(2,7-dideuteriocyclohepta-2,4,6-trien-1-ylidene)amino] 4-methylbenzenesulfonate

Systemtic Name: [(2,7-dideuteriocyclohepta-2,4,6-trien-1-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(2,7-dideuteriocyclohepta-2,4,6-trien-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2,7-dideuterio-1-cyclohepta-2,4,6-trienylidene)amino] ester IUPAC Name: [(2,7-dideuteriocyclohepta-2,4,6-trien-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2,7-dideuteriocyclohepta-2,4,6-trien-1-ylidene)amino] ester Formula: C14H13NO3S MolecularWeight: 277.335244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC=CC=C2

Isomeric SMILES

[2H]C1=CC=CC=C(C1=NOS(=O)(=O)C2=CC=C(C=C2)C)[2H]

InChI

InChI=1S/C14H13NO3S/c1-12-8-10-14(11-9-12)19(16,17)18-15-13-6-4-2-3-5-7-13/h2-11H,1H3/i6D,7D