1-[3-chloranyl-2-(1-sulfanylbutyl)phenyl]butane-1-thiol

Systemtic Name: 1-[3-chloranyl-2-(1-sulfanylbutyl)phenyl]butane-1-thiol Openeye Name: 1-[3-chloro-2-(1-sulfanylbutyl)phenyl]butane-1-thiol CAS Name: 1-[3-chloro-2-(1-mercaptobutyl)phenyl]-1-butanethiol IUPAC Name: 1-[3-chloro-2-(1-sulfanylbutyl)phenyl]butane-1-thiol Traditional Name: 1-[3-chloro-2-(1-mercaptobutyl)phenyl]butane-1-thiol Formula: C14H21ClS2 MolecularWeight: 288.89954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=CC=C1)Cl)C(CCC)S)S

Isomeric SMILES

CCCC(C1=C(C(=CC=C1)Cl)C(CCC)S)S

InChI

InChI=1S/C14H21ClS2/c1-3-6-12(16)10-8-5-9-11(15)14(10)13(17)7-4-2/h5,8-9,12-13,16-17H,3-4,6-7H2,1-2H3