6-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3H-2-benzofuran-1-one hydrochloride

Systemtic Name: 6-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3H-2-benzofuran-1-one hydrochloride Openeye Name: 6-[3-(tert-butylamino)-2-hydroxy-propoxy]-3H-isobenzofuran-1-one hydrochloride CAS Name: 6-[3-(tert-butylamino)-2-hydroxypropoxy]-3H-isobenzofuran-1-one hydrochloride IUPAC Name: 6-[3-(tert-butylamino)-2-hydroxypropoxy]-3H-2-benzofuran-1-one hydrochloride Traditional Name: 6-[3-(tert-butylamino)-2-hydroxy-propoxy]phthalide hydrochloride Formula: C15H22ClNO4 MolecularWeight: 315.79248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC2=C(COC2=O)C=C1)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=CC2=C(COC2=O)C=C1)O.Cl

InChI

InChI=1S/C15H21NO4.ClH/c1-15(2,3)16-7-11(17)9-19-12-5-4-10-8-20-14(18)13(10)6-12;/h4-6,11,16-17H,7-9H2,1-3H3;1H