2-[(9R)-2-chloranyl-9H-xanthen-9-yl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(9R)-2-chloranyl-9H-xanthen-9-yl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(9R)-2-chloro-9H-xanthen-9-yl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[(9R)-2-chloro-9H-xanthen-9-yl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[(9R)-2-chloro-9H-xanthen-9-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[(9R)-2-chloro-9H-xanthen-9-yl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C21H19ClO3 MolecularWeight: 354.82676

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C=C(C=C4)Cl)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[C@@H]2C3=CC=CC=C3OC4=C2C=C(C=C4)Cl)O)C

InChI

InChI=1S/C21H19ClO3/c1-21(2)10-15(23)20(16(24)11-21)19-13-5-3-4-6-17(13)25-18-8-7-12(22)9-14(18)19/h3-9,19,23H,10-11H2,1-2H3/t19-/m1/s1