3-[5-[3-(3,4-dichlorophenyl)prop-2-ynyl]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[5-[3-(3,4-dichlorophenyl)prop-2-ynyl]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[5-[3-(3,4-dichlorophenyl)prop-2-ynyl]-6-oxo-cyclohexa-1,3-dien-1-yl]-2-isopropoxy-propanoic acid CAS Name: 3-[5-[3-(3,4-dichlorophenyl)prop-2-ynyl]-6-oxo-1-cyclohexa-1,3-dienyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[5-[3-(3,4-dichlorophenyl)prop-2-ynyl]-6-oxocyclohexa-1,3-dien-1-yl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[5-[3-(3,4-dichlorophenyl)prop-2-ynyl]-6-keto-cyclohexa-1,3-dien-1-yl]-2-isopropoxy-propionic acid Formula: C21H20Cl2O4 MolecularWeight: 407.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC=CC(C1=O)CC#CC2=CC(=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC=CC(C1=O)CC#CC2=CC(=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H20Cl2O4/c1-13(2)27-19(21(25)26)12-16-8-4-7-15(20(16)24)6-3-5-14-9-10-17(22)18(23)11-14/h4,7-11,13,15,19H,6,12H2,1-2H3,(H,25,26)