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

Systemtic Name: (1R,1aS,7bS)-1-(4-bromophenyl)carbonyl-1a-ethanoyl-1-ethyl-7bH-cyclopropa[c]chromen-2-one Openeye Name: (1R,1aS,7bS)-1a-acetyl-1-(4-bromobenzoyl)-1-ethyl-7bH-cyclopropa[c]chromen-2-one CAS Name: (1R,1aS,7bS)-1a-acetyl-1-[(4-bromophenyl)-oxomethyl]-1-ethyl-7bH-cyclopropa[c][1]benzopyran-2-one IUPAC Name: (1R,1aS,7bS)-1a-acetyl-1-(4-bromobenzoyl)-1-ethyl-7bH-cyclopropa[c]chromen-2-one Traditional Name: (1R,1aS,7bS)-1a-acetyl-1-(4-bromobenzoyl)-1-ethyl-7bH-cyclopropa[c]chromen-2-one Formula: C21H17BrO4 MolecularWeight: 413.26128

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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)Br

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)Br

InChI

InChI=1S/C21H17BrO4/c1-3-20(18(24)13-8-10-14(22)11-9-13)17-15-6-4-5-7-16(15)26-19(25)21(17,20)12(2)23/h4-11,17H,3H2,1-2H3/t17-,20-,21+/m0/s1