2-[2-oxidanyl-3-(prop-2-enylamino)propoxy]xanthen-9-one hydrochloride

Systemtic Name: 2-[2-oxidanyl-3-(prop-2-enylamino)propoxy]xanthen-9-one hydrochloride Openeye Name: 2-[3-(allylamino)-2-hydroxy-propoxy]xanthen-9-one hydrochloride CAS Name: 2-[2-hydroxy-3-(prop-2-enylamino)propoxy]-9-xanthenone hydrochloride IUPAC Name: 2-[2-hydroxy-3-(prop-2-enylamino)propoxy]xanthen-9-one hydrochloride Traditional Name: 2-[3-(allylamino)-2-hydroxy-propoxy]xanthone hydrochloride Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC(COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)O.Cl

Isomeric SMILES

C=CCNCC(COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)O.Cl

InChI

InChI=1S/C19H19NO4.ClH/c1-2-9-20-11-13(21)12-23-14-7-8-18-16(10-14)19(22)15-5-3-4-6-17(15)24-18;/h2-8,10,13,20-21H,1,9,11-12H2;1H