3-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxy-1,4-benzoquinone CAS Name: 3-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione Traditional Name: 3-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxy-p-benzoquinone Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(CCCC(C2CC1)(C)C)C)CC3=C(C(=O)C=C(C3=O)O)O

Isomeric SMILES

CC1=C([C@]2(CCCC([C@@H]2CC1)(C)C)C)CC3=C(C(=O)C=C(C3=O)O)O

InChI

InChI=1S/C21H28O4/c1-12-6-7-17-20(2,3)8-5-9-21(17,4)14(12)10-13-18(24)15(22)11-16(23)19(13)25/h11,17,22,25H,5-10H2,1-4H3/t17-,21+/m0/s1