2-(hydroxymethyl)-3-[2-(hydroxymethyl)-6-octyl-3-oxidanyl-phenyl]sulfanyl-4-octyl-phenol

Systemtic Name: 2-(hydroxymethyl)-3-[2-(hydroxymethyl)-6-octyl-3-oxidanyl-phenyl]sulfanyl-4-octyl-phenol Openeye Name: 3-[3-hydroxy-2-(hydroxymethyl)-6-octyl-phenyl]sulfanyl-2-(hydroxymethyl)-4-octyl-phenol CAS Name: 3-[[3-hydroxy-2-(hydroxymethyl)-6-octylphenyl]thio]-2-(hydroxymethyl)-4-octylphenol IUPAC Name: 3-[3-hydroxy-2-(hydroxymethyl)-6-octylphenyl]sulfanyl-2-(hydroxymethyl)-4-octylphenol Traditional Name: 3-[(3-hydroxy-2-methylol-6-octyl-phenyl)thio]-2-methylol-4-octyl-phenol Formula: C30H46O4S MolecularWeight: 502.74884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)O)CO)SC2=C(C=CC(=C2CO)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)O)CO)SC2=C(C=CC(=C2CO)O)CCCCCCCC

InChI

InChI=1S/C30H46O4S/c1-3-5-7-9-11-13-15-23-17-19-27(33)25(21-31)29(23)35-30-24(16-14-12-10-8-6-4-2)18-20-28(34)26(30)22-32/h17-20,31-34H,3-16,21-22H2,1-2H3