4-butyl-2-chloranyl-3-hexyl-benzenethiol

Systemtic Name: 4-butyl-2-chloranyl-3-hexyl-benzenethiol Openeye Name: 4-butyl-2-chloro-3-hexyl-benzenethiol CAS Name: 4-butyl-2-chloro-3-hexylbenzenethiol IUPAC Name: 4-butyl-2-chloro-3-hexylbenzenethiol Traditional Name: 4-butyl-2-chloro-3-hexyl-benzenethiol Formula: C16H25ClS MolecularWeight: 284.8877

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1Cl)S)CCCC

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1Cl)S)CCCC

InChI

InChI=1S/C16H25ClS/c1-3-5-7-8-10-14-13(9-6-4-2)11-12-15(18)16(14)17/h11-12,18H,3-10H2,1-2H3