(4aR,8R,8aS)-7-ethenyl-3,8a-dimethyl-8-(3-methyl-2-oxidanyl-phenyl)-5,8-dihydro-4aH-naphthalene-1,4-dione

Systemtic Name: (4aR,8R,8aS)-7-ethenyl-3,8a-dimethyl-8-(3-methyl-2-oxidanyl-phenyl)-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aR,8R,8aS)-8-(2-hydroxy-3-methyl-phenyl)-3,8a-dimethyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-dione CAS Name: (4aR,8R,8aS)-7-ethenyl-8-(2-hydroxy-3-methylphenyl)-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aR,8R,8aS)-7-ethenyl-8-(2-hydroxy-3-methylphenyl)-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aR,8R,8aS)-8-(2-hydroxy-3-methyl-phenyl)-3,8a-dimethyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C2C(=CCC3C2(C(=O)C=C(C3=O)C)C)C=C

Isomeric SMILES

CC1=CC=CC(=C1O)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)C=C(C3=O)C)C)C=C

InChI

InChI=1S/C21H22O3/c1-5-14-9-10-16-20(24)13(3)11-17(22)21(16,4)18(14)15-8-6-7-12(2)19(15)23/h5-9,11,16,18,23H,1,10H2,2-4H3/t16-,18+,21-/m0/s1