2-[(3Z)-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3Z)-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3Z)-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3Z)-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3Z)-3-[mesyl(phenyl)methylene]-6-methoxy-2-methyl-inden-1-yl]acetic acid Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=C(C3=CC=CC=C3)S(=O)(=O)C)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C(/C3=CC=CC=C3)\S(=O)(=O)C)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C21H20O5S/c1-13-17(12-19(22)23)18-11-15(26-2)9-10-16(18)20(13)21(27(3,24)25)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,22,23)/b21-20-