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13-phenylpentacosane-13-thiol

13-phenylpentacosane-13-thiol

Systemtic Name:13-phenylpentacosane-13-thiol
Openeye Name:13-phenylpentacosane-13-thiol
CAS Name:13-phenyl-13-pentacosanethiol
IUPAC Name:13-phenylpentacosane-13-thiol
Traditional Name:13-phenylpentacosane-13-thiol
Formula: C31H56S
MolecularWeight: 460.84134
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C1=CC=CC=C1)S


Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C1=CC=CC=C1)S


InChI

InChI=1S/C31H56S/c1-3-5-7-9-11-13-15-17-19-24-28-31(32,30-26-22-21-23-27-30)29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27,32H,3-20,24-25,28-29H2,1-2H3


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