(1S,1aS,7bS)-1-ethyl-1-(4-methylphenyl)carbonyl-2-oxidanylidene-7bH-cyclopropa[c]chromene-1a-carboxylic acid

Systemtic Name: (1S,1aS,7bS)-1-ethyl-1-(4-methylphenyl)carbonyl-2-oxidanylidene-7bH-cyclopropa[c]chromene-1a-carboxylic acid Openeye Name: (1S,1aS,7bS)-1-ethyl-1-(4-methylbenzoyl)-2-oxo-7bH-cyclopropa[c]chromene-1a-carboxylic acid CAS Name: (1S,1aS,7bS)-1-ethyl-1-[(4-methylphenyl)-oxomethyl]-2-oxo-7bH-cyclopropa[c][1]benzopyran-1a-carboxylic acid IUPAC Name: (1S,1aS,7bS)-1-ethyl-1-(4-methylbenzoyl)-2-oxo-7bH-cyclopropa[c]chromene-1a-carboxylic acid Traditional Name: (1S,1aS,7bS)-1-ethyl-2-keto-1-p-toluoyl-7bH-cyclopropa[c]chromene-1a-carboxylic acid Formula: C21H18O5 MolecularWeight: 350.36462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2C1(C(=O)OC3=CC=CC=C23)C(=O)O)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC[C@@]1([C@H]2[C@@]1(C(=O)OC3=CC=CC=C23)C(=O)O)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H18O5/c1-3-20(17(22)13-10-8-12(2)9-11-13)16-14-6-4-5-7-15(14)26-19(25)21(16,20)18(23)24/h4-11,16H,3H2,1-2H3,(H,23,24)/t16-,20+,21-/m0/s1