(1S)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-oxidanyl-isoquinoline-1,3,4-triol

Systemtic Name: (1S)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-oxidanyl-isoquinoline-1,3,4-triol Openeye Name: (1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-1,3,4-triol CAS Name: (1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxyisoquinoline-1,3,4-triol IUPAC Name: (1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxyisoquinoline-1,3,4-triol Traditional Name: (1S)-2-hydroxy-1-(4-hydroxybenzyl)-6,7-dimethoxy-isoquinoline-1,3,4-triol Formula: C18H19NO7 MolecularWeight: 361.34596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N(C2(CC3=CC=C(C=C3)O)O)O)O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N([C@@]2(CC3=CC=C(C=C3)O)O)O)O)O)OC

InChI

InChI=1S/C18H19NO7/c1-25-14-7-12-13(8-15(14)26-2)18(23,19(24)17(22)16(12)21)9-10-3-5-11(20)6-4-10/h3-8,20-24H,9H2,1-2H3/t18-/m0/s1