3-[(3-chloranyl-9H-xanthen-9-yl)sulfanyl]propan-1-amine hydrochloride

Systemtic Name: 3-[(3-chloranyl-9H-xanthen-9-yl)sulfanyl]propan-1-amine hydrochloride Openeye Name: 3-[(3-chloro-9H-xanthen-9-yl)sulfanyl]propan-1-amine hydrochloride CAS Name: 3-[(3-chloro-9H-xanthen-9-yl)thio]-1-propanamine hydrochloride IUPAC Name: 3-[(3-chloro-9H-xanthen-9-yl)sulfanyl]propan-1-amine hydrochloride Traditional Name: 3-[(3-chloro-9H-xanthen-9-yl)thio]propylamine hydrochloride Formula: C16H17Cl2NOS MolecularWeight: 342.28328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=C(O2)C=C(C=C3)Cl)SCCCN.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=C(O2)C=C(C=C3)Cl)SCCCN.Cl

InChI

InChI=1S/C16H16ClNOS.ClH/c17-11-6-7-13-15(10-11)19-14-5-2-1-4-12(14)16(13)20-9-3-8-18;/h1-2,4-7,10,16H,3,8-9,18H2;1H