(3S)-6,7-dimethoxy-8-oxidanyl-3-[(2S)-2-oxidanylpentyl]-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-6,7-dimethoxy-8-oxidanyl-3-[(2S)-2-oxidanylpentyl]-3,4-dihydroisochromen-1-one Openeye Name: (3S)-8-hydroxy-3-[(2S)-2-hydroxypentyl]-6,7-dimethoxy-isochroman-1-one CAS Name: (3S)-8-hydroxy-3-[(2S)-2-hydroxypentyl]-6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-8-hydroxy-3-[(2S)-2-hydroxypentyl]-6,7-dimethoxy-3,4-dihydroisochromen-1-one Traditional Name: (3S)-8-hydroxy-3-[(2S)-2-hydroxypentyl]-6,7-dimethoxy-isochroman-1-one Formula: C16H22O6 MolecularWeight: 310.34228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1CC2=CC(=C(C(=C2C(=O)O1)O)OC)OC)O

Isomeric SMILES

CCC[C@@H](C[C@@H]1CC2=CC(=C(C(=C2C(=O)O1)O)OC)OC)O

InChI

InChI=1S/C16H22O6/c1-4-5-10(17)8-11-6-9-7-12(20-2)15(21-3)14(18)13(9)16(19)22-11/h7,10-11,17-18H,4-6,8H2,1-3H3/t10-,11-/m0/s1