1-(4-nonylphenyl)-2,6,7-tris(oxidanyl)heptan-4-one

Systemtic Name: 1-(4-nonylphenyl)-2,6,7-tris(oxidanyl)heptan-4-one Openeye Name: 1,2,6-trihydroxy-7-(4-nonylphenyl)heptan-4-one CAS Name: 1,2,6-trihydroxy-7-(4-nonylphenyl)-4-heptanone IUPAC Name: 1,2,6-trihydroxy-7-(4-nonylphenyl)heptan-4-one Traditional Name: 1,2,6-trihydroxy-7-(4-nonylphenyl)heptan-4-one Formula: C22H36O4 MolecularWeight: 364.51884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CC(CC(=O)CC(CO)O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CC(CC(=O)CC(CO)O)O

InChI

InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-20(24)15-21(25)16-22(26)17-23/h10-13,20,22-24,26H,2-9,14-17H2,1H3