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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-1-azulenecarboxylic acid IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-(4-mesylphenyl)azulene-1-carboxylic acid Formula: C25H19ClO5S MolecularWeight: 466.93336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C25H19ClO5S/c1-31-21-13-10-16(14-20(21)26)22-18-6-4-3-5-7-19(18)24(25(27)28)23(22)15-8-11-17(12-9-15)32(2,29)30/h3-14H,1-2H3,(H,27,28)