3-[(Z)-heptadec-8-enyl]-2-methyl-5-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 3-[(Z)-heptadec-8-enyl]-2-methyl-5-oxidanyl-naphthalene-1,4-dione Openeye Name: 3-[(Z)-heptadec-8-enyl]-5-hydroxy-2-methyl-naphthalene-1,4-dione CAS Name: 3-[(Z)-heptadec-8-enyl]-5-hydroxy-2-methylnaphthalene-1,4-dione IUPAC Name: 3-[(Z)-heptadec-8-enyl]-5-hydroxy-2-methylnaphthalene-1,4-dione Traditional Name: 3-[(Z)-heptadec-8-enyl]-5-hydroxy-2-methyl-1,4-naphthoquinone Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=C(C(=O)C2=C(C1=O)C(=CC=C2)O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H40O3/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/h10-11,18,20-21,29H,3-9,12-17,19H2,1-2H3/b11-10-