2-[2-(4-methylsulfonylphenyl)-3-phenyl-azulen-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-methylsulfonylphenyl)-3-phenyl-azulen-1-yl]ethanoic acid Openeye Name: 2-[2-(4-methylsulfonylphenyl)-3-phenyl-azulen-1-yl]acetic acid CAS Name: 2-[2-(4-methylsulfonylphenyl)-3-phenyl-1-azulenyl]acetic acid IUPAC Name: 2-[2-(4-methylsulfonylphenyl)-3-phenylazulen-1-yl]acetic acid Traditional Name: 2-[2-(4-mesylphenyl)-3-phenyl-azulen-1-yl]acetic acid Formula: C25H20O4S MolecularWeight: 416.4889

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=CC=CC=CC3=C2CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=CC=CC=CC3=C2CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H20O4S/c1-30(28,29)19-14-12-18(13-15-19)25-22(16-23(26)27)20-10-6-3-7-11-21(20)24(25)17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,26,27)