2-[(1S,6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]-3-oxidanyl-5-pentyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(1S,6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]-3-oxidanyl-5-pentyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-hydroxy-2-[(1S,6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-1,4-benzoquinone CAS Name: 3-hydroxy-2-[(1S,6S)-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]-5-pentylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-hydroxy-2-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione Traditional Name: 5-amyl-3-hydroxy-2-[(1S,6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]-p-benzoquinone Formula: C21H30O3 MolecularWeight: 330.4611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)C(=C(C1=O)O)C2C=C(CCC2C(C)C)C

Isomeric SMILES

CCCCCC1=CC(=O)C(=C(C1=O)O)[C@@H]2C=C(CC[C@H]2C(C)C)C

InChI

InChI=1S/C21H30O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-13,16-17,24H,5-10H2,1-4H3/t16-,17+/m0/s1