(1-cyano-3-phenyl-azulen-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-cyano-3-phenyl-azulen-2-yl) 4-methylbenzenesulfonate Openeye Name: (1-cyano-3-phenyl-azulen-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-cyano-3-phenyl-2-azulenyl) ester IUPAC Name: (1-cyano-3-phenylazulen-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-cyano-3-phenyl-azulen-2-yl) ester Formula: C24H17NO3S MolecularWeight: 399.46168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=CC3=C2C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=CC3=C2C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H17NO3S/c1-17-12-14-19(15-13-17)29(26,27)28-24-22(16-25)20-10-6-3-7-11-21(20)23(24)18-8-4-2-5-9-18/h2-15H,1H3