3-[(E)-dodec-1-enyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[(E)-dodec-1-enyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(E)-dodec-1-enyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(E)-dodec-1-enyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(E)-dodec-1-enyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(E)-dodec-1-enyl]-4-hydroxy-1,2-naphthoquinone Formula: C22H28O3 MolecularWeight: 340.45592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/C1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C22H28O3/c1-2-3-4-5-6-7-8-9-10-11-16-19-20(23)17-14-12-13-15-18(17)21(24)22(19)25/h11-16,23H,2-10H2,1H3/b16-11+