3-(3-chloranyl-4-methyl-phenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid Openeye Name: 3-(3-chloro-4-methyl-phenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid CAS Name: 3-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)-1-azulenecarboxylic acid IUPAC Name: 3-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid Traditional Name: 3-(3-chloro-4-methyl-phenyl)-2-(4-mesylphenyl)azulene-1-carboxylic acid Formula: C25H19ClO4S MolecularWeight: 450.93396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=C3C2=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=C3C2=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H19ClO4S/c1-15-8-9-17(14-21(15)26)22-19-6-4-3-5-7-20(19)24(25(27)28)23(22)16-10-12-18(13-11-16)31(2,29)30/h3-14H,1-2H3,(H,27,28)