1-(4-ethenylphenoxy)-13-(hydroxymethyl)-12,13-bis(oxidanyl)hentriacontan-11-one

Systemtic Name: 1-(4-ethenylphenoxy)-13-(hydroxymethyl)-12,13-bis(oxidanyl)hentriacontan-11-one Openeye Name: 12,13-dihydroxy-13-(hydroxymethyl)-1-(4-vinylphenoxy)hentriacontan-11-one CAS Name: 1-(4-ethenylphenoxy)-12,13-dihydroxy-13-(hydroxymethyl)-11-hentriacontanone IUPAC Name: 1-(4-ethenylphenoxy)-12,13-dihydroxy-13-(hydroxymethyl)hentriacontan-11-one Traditional Name: 12,13-dihydroxy-13-methylol-1-(4-vinylphenoxy)hentriacontan-11-one Formula: C40H70O5 MolecularWeight: 630.9808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CO)(C(C(=O)CCCCCCCCCCOC1=CC=C(C=C1)C=C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CO)(C(C(=O)CCCCCCCCCCOC1=CC=C(C=C1)C=C)O)O

InChI

InChI=1S/C40H70O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-33-40(44,35-41)39(43)38(42)28-25-22-19-16-18-21-24-27-34-45-37-31-29-36(4-2)30-32-37/h4,29-32,39,41,43-44H,2-3,5-28,33-35H2,1H3