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4-octadecoxy-2-(phenylmethyl)benzenethiol

4-octadecoxy-2-(phenylmethyl)benzenethiol

Systemtic Name:4-octadecoxy-2-(phenylmethyl)benzenethiol
Openeye Name:2-benzyl-4-octadecoxy-benzenethiol
CAS Name:4-octadecoxy-2-(phenylmethyl)benzenethiol
IUPAC Name:2-benzyl-4-octadecoxybenzenethiol
Traditional Name:2-benzyl-4-stearyloxy-benzenethiol
Formula: C31H48OS
MolecularWeight: 468.77722
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)S)CC2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)S)CC2=CC=CC=C2


InChI

InChI=1S/C31H48OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-32-30-23-24-31(33)29(27-30)26-28-21-18-17-19-22-28/h17-19,21-24,27,33H,2-16,20,25-26H2,1H3


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