1-chloranyl-4-hexyl-2-isothiocyanato-benzene

Systemtic Name: 1-chloranyl-4-hexyl-2-isothiocyanato-benzene Openeye Name: 1-chloro-4-hexyl-2-isothiocyanato-benzene CAS Name: 1-chloro-4-hexyl-2-isothiocyanatobenzene IUPAC Name: 1-chloro-4-hexyl-2-isothiocyanatobenzene Traditional Name: 1-chloro-4-hexyl-2-isothiocyanato-benzene Formula: C13H16ClNS MolecularWeight: 253.79084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)Cl)N=C=S

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)Cl)N=C=S

InChI

InChI=1S/C13H16ClNS/c1-2-3-4-5-6-11-7-8-12(14)13(9-11)15-10-16/h7-9H,2-6H2,1H3