methyl 2-(4-methylsulfonylphenyl)-3-phenyl-azulene-1-carboxylate

Systemtic Name: methyl 2-(4-methylsulfonylphenyl)-3-phenyl-azulene-1-carboxylate Openeye Name: methyl 2-(4-methylsulfonylphenyl)-3-phenyl-azulene-1-carboxylate CAS Name: 2-(4-methylsulfonylphenyl)-3-phenyl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylsulfonylphenyl)-3-phenylazulene-1-carboxylate Traditional Name: 2-(4-mesylphenyl)-3-phenyl-azulene-1-carboxylic acid methyl ester Formula: C25H20O4S MolecularWeight: 416.4889

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC=CC=C2C(=C1C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C2C=CC=CC=C2C(=C1C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H20O4S/c1-29-25(26)24-21-12-8-4-7-11-20(21)22(17-9-5-3-6-10-17)23(24)18-13-15-19(16-14-18)30(2,27)28/h3-16H,1-2H3