4-[3-(4-oxidanylheptan-4-yl)-5-phenylmethoxy-phenyl]heptan-4-ol

Systemtic Name: 4-[3-(4-oxidanylheptan-4-yl)-5-phenylmethoxy-phenyl]heptan-4-ol Openeye Name: 4-[3-benzyloxy-5-(1-hydroxy-1-propyl-butyl)phenyl]heptan-4-ol CAS Name: 4-[3-(4-hydroxyheptan-4-yl)-5-phenylmethoxyphenyl]-4-heptanol IUPAC Name: 4-[3-(4-hydroxyheptan-4-yl)-5-phenylmethoxyphenyl]heptan-4-ol Traditional Name: 4-[3-benzoxy-5-(1-hydroxy-1-propyl-butyl)phenyl]heptan-4-ol Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C1=CC(=CC(=C1)OCC2=CC=CC=C2)C(CCC)(CCC)O)O

Isomeric SMILES

CCCC(CCC)(C1=CC(=CC(=C1)OCC2=CC=CC=C2)C(CCC)(CCC)O)O

InChI

InChI=1S/C27H40O3/c1-5-14-26(28,15-6-2)23-18-24(27(29,16-7-3)17-8-4)20-25(19-23)30-21-22-12-10-9-11-13-22/h9-13,18-20,28-29H,5-8,14-17,21H2,1-4H3