4-(phenylmethyl)hexadecane-5-thiol

Systemtic Name: 4-(phenylmethyl)hexadecane-5-thiol Openeye Name: 4-benzylhexadecane-5-thiol CAS Name: 4-(phenylmethyl)-5-hexadecanethiol IUPAC Name: 4-benzylhexadecane-5-thiol Traditional Name: 4-benzylhexadecane-5-thiol Formula: C23H40S MolecularWeight: 348.6287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(CCC)CC1=CC=CC=C1)S

Isomeric SMILES

CCCCCCCCCCCC(C(CCC)CC1=CC=CC=C1)S

InChI

InChI=1S/C23H40S/c1-3-5-6-7-8-9-10-11-15-19-23(24)22(16-4-2)20-21-17-13-12-14-18-21/h12-14,17-18,22-24H,3-11,15-16,19-20H2,1-2H3