2-[(8E,11E)-heptadeca-8,11-dienyl]-5,6-dimethoxy-3-oxidanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5,6-dimethoxy-3-oxidanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-3-hydroxy-5,6-dimethoxy-1,4-benzoquinone CAS Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-3-hydroxy-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-3-hydroxy-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-3-hydroxy-5,6-dimethoxy-p-benzoquinone Formula: C25H38O5 MolecularWeight: 418.56622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)O

InChI

InChI=1S/C25H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(26)23(28)25(30-3)24(29-2)22(20)27/h8-9,11-12,26H,4-7,10,13-19H2,1-3H3/b9-8+,12-11+