(1-cyanoazulen-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-cyanoazulen-6-yl) 4-methylbenzenesulfonate Openeye Name: (1-cyanoazulen-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-cyano-6-azulenyl) ester IUPAC Name: (1-cyanoazulen-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-cyanoazulen-6-yl) ester Formula: C18H13NO3S MolecularWeight: 323.36572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C3C=CC(=C3C=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C3C=CC(=C3C=C2)C#N

InChI

InChI=1S/C18H13NO3S/c1-13-2-9-17(10-3-13)23(20,21)22-16-7-6-14-4-5-15(12-19)18(14)11-8-16/h2-11H,1H3