(1S,1aS,7bS)-1a-ethanoyl-1-ethyl-1-(4-methylphenyl)carbonyl-7bH-cyclopropa[c]chromen-2-one

Systemtic Name: (1S,1aS,7bS)-1a-ethanoyl-1-ethyl-1-(4-methylphenyl)carbonyl-7bH-cyclopropa[c]chromen-2-one Openeye Name: (1S,1aS,7bS)-1a-acetyl-1-ethyl-1-(4-methylbenzoyl)-7bH-cyclopropa[c]chromen-2-one CAS Name: (1S,1aS,7bS)-1a-acetyl-1-ethyl-1-[(4-methylphenyl)-oxomethyl]-7bH-cyclopropa[c][1]benzopyran-2-one IUPAC Name: (1S,1aS,7bS)-1a-acetyl-1-ethyl-1-(4-methylbenzoyl)-7bH-cyclopropa[c]chromen-2-one Traditional Name: (1S,1aS,7bS)-1a-acetyl-1-ethyl-1-p-toluoyl-7bH-cyclopropa[c]chromen-2-one Formula: C22H20O4 MolecularWeight: 348.3918

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H20O4/c1-4-21(19(24)15-11-9-13(2)10-12-15)18-16-7-5-6-8-17(16)26-20(25)22(18,21)14(3)23/h5-12,18H,4H2,1-3H3/t18-,21+,22+/m0/s1