(1R,1aS,7bS)-6-bromanyl-1a-ethanoyl-1-ethyl-1-(4-methylphenyl)carbonyl-7bH-cyclopropa[c]chromen-2-one

Systemtic Name: (1R,1aS,7bS)-6-bromanyl-1a-ethanoyl-1-ethyl-1-(4-methylphenyl)carbonyl-7bH-cyclopropa[c]chromen-2-one Openeye Name: (1R,1aS,7bS)-1a-acetyl-6-bromo-1-ethyl-1-(4-methylbenzoyl)-7bH-cyclopropa[c]chromen-2-one CAS Name: (1R,1aS,7bS)-1a-acetyl-6-bromo-1-ethyl-1-[(4-methylphenyl)-oxomethyl]-7bH-cyclopropa[c][1]benzopyran-2-one IUPAC Name: (1R,1aS,7bS)-1a-acetyl-6-bromo-1-ethyl-1-(4-methylbenzoyl)-7bH-cyclopropa[c]chromen-2-one Traditional Name: (1R,1aS,7bS)-1a-acetyl-6-bromo-1-ethyl-1-p-toluoyl-7bH-cyclopropa[c]chromen-2-one Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2C1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)C)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC[C@]1([C@H]2[C@@]1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)C)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H19BrO4/c1-4-21(19(25)14-7-5-12(2)6-8-14)18-16-11-15(23)9-10-17(16)27-20(26)22(18,21)13(3)24/h5-11,18H,4H2,1-3H3/t18-,21-,22+/m0/s1