[4,5-dipentyl-2-(sulfanylmethyl)phenyl]methanethiol

Systemtic Name: [4,5-dipentyl-2-(sulfanylmethyl)phenyl]methanethiol Openeye Name: [4,5-dipentyl-2-(sulfanylmethyl)phenyl]methanethiol CAS Name: [2-(mercaptomethyl)-4,5-dipentylphenyl]methanethiol IUPAC Name: [4,5-dipentyl-2-(sulfanylmethyl)phenyl]methanethiol Traditional Name: [4,5-diamyl-2-(mercaptomethyl)phenyl]methanethiol Formula: C18H30S2 MolecularWeight: 310.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1CCCCC)CS)CS

Isomeric SMILES

CCCCCC1=CC(=C(C=C1CCCCC)CS)CS

InChI

InChI=1S/C18H30S2/c1-3-5-7-9-15-11-17(13-19)18(14-20)12-16(15)10-8-6-4-2/h11-12,19-20H,3-10,13-14H2,1-2H3