5-(7-chloranyl-4,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(7-chloranyl-4,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(7-chloro-4,5-dimethyl-2,3-dihydrobenzofuran-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-(7-chloro-4,5-dimethyl-2,3-dihydrobenzofuran-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(7-chloro-4,5-dimethyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-(7-chloro-4,5-dimethyl-coumaran-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C19H21ClO4 MolecularWeight: 348.82064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C3CCOC3=C2Cl)C)C)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C3CCOC3=C2Cl)C)C)O

InChI

InChI=1S/C19H21ClO4/c1-4-13(21)17-14(22)7-11(8-15(17)23)16-10(3)9(2)12-5-6-24-19(12)18(16)20/h11,21H,4-8H2,1-3H3