1-(4-heptoxyphenyl)icosane-1,3-dione

Systemtic Name: 1-(4-heptoxyphenyl)icosane-1,3-dione Openeye Name: 1-(4-heptoxyphenyl)icosane-1,3-dione CAS Name: 1-(4-heptoxyphenyl)eicosane-1,3-dione IUPAC Name: 1-(4-heptoxyphenyl)icosane-1,3-dione Traditional Name: 1-(4-heptoxyphenyl)eicosane-1,3-dione Formula: C33H56O3 MolecularWeight: 500.79594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=C(C=C1)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=C(C=C1)OCCCCCCC

InChI

InChI=1S/C33H56O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-31(34)29-33(35)30-24-26-32(27-25-30)36-28-22-20-8-6-4-2/h24-27H,3-23,28-29H2,1-2H3