1-[4-[1-[3,4-bis(hydroxymethyl)phenyl]-3-ethyl-pentan-3-yl]-2-ethyl-phenyl]sulfanyl-3-methyl-butan-2-ol

Systemtic Name: 1-[4-[1-[3,4-bis(hydroxymethyl)phenyl]-3-ethyl-pentan-3-yl]-2-ethyl-phenyl]sulfanyl-3-methyl-butan-2-ol Openeye Name: 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]-1,1-diethyl-propyl]-2-ethyl-phenyl]sulfanyl-3-methyl-butan-2-ol CAS Name: 1-[[4-[1-[3,4-bis(hydroxymethyl)phenyl]-3-ethylpentan-3-yl]-2-ethylphenyl]thio]-3-methyl-2-butanol IUPAC Name: 1-[4-[1-[3,4-bis(hydroxymethyl)phenyl]-3-ethylpentan-3-yl]-2-ethylphenyl]sulfanyl-3-methylbutan-2-ol Traditional Name: 1-[[4-[3-(3,4-dimethylolphenyl)-1,1-diethyl-propyl]-2-ethyl-phenyl]thio]-3-methyl-butan-2-ol Formula: C28H42O3S MolecularWeight: 458.69628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(CC)(CC)CCC2=CC(=C(C=C2)CO)CO)SCC(C(C)C)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C(CC)(CC)CCC2=CC(=C(C=C2)CO)CO)SCC(C(C)C)O

InChI

InChI=1S/C28H42O3S/c1-6-22-16-25(11-12-27(22)32-19-26(31)20(4)5)28(7-2,8-3)14-13-21-9-10-23(17-29)24(15-21)18-30/h9-12,15-16,20,26,29-31H,6-8,13-14,17-19H2,1-5H3