3-[(4-chloranyl-9H-xanthen-9-yl)sulfanyl]propan-1-amine hydrochloride

Systemtic Name: 3-[(4-chloranyl-9H-xanthen-9-yl)sulfanyl]propan-1-amine hydrochloride Openeye Name: 3-[(4-chloro-9H-xanthen-9-yl)sulfanyl]propan-1-amine hydrochloride CAS Name: 3-[(4-chloro-9H-xanthen-9-yl)thio]-1-propanamine hydrochloride IUPAC Name: 3-[(4-chloro-9H-xanthen-9-yl)sulfanyl]propan-1-amine hydrochloride Traditional Name: 3-[(4-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(=CC=C3)Cl)SCCCN.Cl

Isomeric SMILES

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

InChI

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