3-[(8Z,11Z)-heptadeca-8,11-dienyl]-2-methyl-5-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 3-[(8Z,11Z)-heptadeca-8,11-dienyl]-2-methyl-5-oxidanyl-naphthalene-1,4-dione Openeye Name: 3-[(8Z,11Z)-heptadeca-8,11-dienyl]-5-hydroxy-2-methyl-naphthalene-1,4-dione CAS Name: 3-[(8Z,11Z)-heptadeca-8,11-dienyl]-5-hydroxy-2-methylnaphthalene-1,4-dione IUPAC Name: 3-[(8Z,11Z)-heptadeca-8,11-dienyl]-5-hydroxy-2-methylnaphthalene-1,4-dione Traditional Name: 3-[(8Z,11Z)-heptadeca-8,11-dienyl]-5-hydroxy-2-methyl-1,4-naphthoquinone Formula: C28H38O3 MolecularWeight: 422.59952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C

InChI

InChI=1S/C28H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-22(2)27(30)24-20-18-21-25(29)26(24)28(23)31/h7-8,10-11,18,20-21,29H,3-6,9,12-17,19H2,1-2H3/b8-7-,11-10-