3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid

Systemtic Name: 3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid Openeye Name: 3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid CAS Name: 3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1-azulenecarboxylic acid IUPAC Name: 3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid Traditional Name: 3-(3-chlorophenyl)-2-(4-mesylphenyl)azulene-1-carboxylic acid Formula: C24H17ClO4S MolecularWeight: 436.90738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=CC=CC=CC3=C2C(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=CC=CC=CC3=C2C(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H17ClO4S/c1-30(28,29)18-12-10-15(11-13-18)22-21(16-6-5-7-17(25)14-16)19-8-3-2-4-9-20(19)23(22)24(26)27/h2-14H,1H3,(H,26,27)