3-icosyl-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3-icosyl-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-hydroxy-3-icosyl-5-methoxy-1,4-benzoquinone CAS Name: 3-eicosyl-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-hydroxy-3-icosyl-5-methoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 3-arachyl-2-hydroxy-5-methoxy-p-benzoquinone Formula: C27H46O4 MolecularWeight: 434.65174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O

InChI

InChI=1S/C27H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(29)24(28)22-25(31-2)27(23)30/h22,29H,3-21H2,1-2H3