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

Systemtic Name: 3-henicosyl-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-henicosyl-2-hydroxy-5-methoxy-1,4-benzoquinone CAS Name: 3-heneicosyl-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-henicosyl-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 3-heneicosyl-2-hydroxy-5-methoxy-p-benzoquinone Formula: C28H48O4 MolecularWeight: 448.67832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O

InChI

InChI=1S/C28H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)25(29)23-26(32-2)28(24)31/h23,30H,3-22H2,1-2H3