(1R,1aR,7bR)-6-bromanyl-1a-ethanoyl-1-methyl-1-(4-methylphenyl)carbonyl-7bH-cyclopropa[c]chromen-2-one

Systemtic Name: (1R,1aR,7bR)-6-bromanyl-1a-ethanoyl-1-methyl-1-(4-methylphenyl)carbonyl-7bH-cyclopropa[c]chromen-2-one Openeye Name: (1R,1aR,7bR)-1a-acetyl-6-bromo-1-methyl-1-(4-methylbenzoyl)-7bH-cyclopropa[c]chromen-2-one CAS Name: (1R,1aR,7bR)-1a-acetyl-6-bromo-1-methyl-1-[(4-methylphenyl)-oxomethyl]-7bH-cyclopropa[c][1]benzopyran-2-one IUPAC Name: (1R,1aR,7bR)-1a-acetyl-6-bromo-1-methyl-1-(4-methylbenzoyl)-7bH-cyclopropa[c]chromen-2-one Traditional Name: (1R,1aR,7bR)-1a-acetyl-6-bromo-1-methyl-1-p-toluoyl-7bH-cyclopropa[c]chromen-2-one Formula: C21H17BrO4 MolecularWeight: 413.26128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2(C3C2(C(=O)OC4=C3C=C(C=C4)Br)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@]2([C@@H]3[C@]2(C(=O)OC4=C3C=C(C=C4)Br)C(=O)C)C

InChI

InChI=1S/C21H17BrO4/c1-11-4-6-13(7-5-11)18(24)20(3)17-15-10-14(22)8-9-16(15)26-19(25)21(17,20)12(2)23/h4-10,17H,1-3H3/t17-,20+,21+/m1/s1