3-[3-(4-heptan-4-yloxyphenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[3-(4-heptan-4-yloxyphenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[3-[4-(1-propylbutoxy)phenyl]propyl]naphthalene-1,2-dione CAS Name: 3-[3-(4-heptan-4-yloxyphenyl)propyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[3-(4-heptan-4-yloxyphenyl)propyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[3-[4-(1-propylbutoxy)phenyl]propyl]-1,2-naphthoquinone Formula: C26H30O4 MolecularWeight: 406.514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)OC1=CC=C(C=C1)CCCC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCCC(CCC)OC1=CC=C(C=C1)CCCC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C26H30O4/c1-3-8-19(9-4-2)30-20-16-14-18(15-17-20)10-7-13-23-24(27)21-11-5-6-12-22(21)25(28)26(23)29/h5-6,11-12,14-17,19,27H,3-4,7-10,13H2,1-2H3