2,3-bis(oxidanyl)butanedioic acid; [2-(hydroxymethyl)-3,4-dimethoxy-phenyl]-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; [2-(hydroxymethyl)-3,4-dimethoxy-phenyl]-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol Openeye Name: 2,3-dihydroxybutanedioic acid; [2-(hydroxymethyl)-3,4-dimethoxy-phenyl]-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol CAS Name: 2,3-dihydroxybutanedioic acid; [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol IUPAC Name: 2,3-dihydroxybutanedioic acid; [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol Traditional Name: (3,4-dimethoxy-2-methylol-phenyl)-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl)methanol; tartaric acid Formula: C26H33NO13 MolecularWeight: 567.53912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC3=C(C(=C2C1C(C4=C(C(=C(C=C4)OC)OC)CO)O)OC)OCO3.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN1CCC2=CC3=C(C(=C2C1C(C4=C(C(=C(C=C4)OC)OC)CO)O)OC)OCO3.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C22H27NO7.C4H6O6/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)18(23)19(25)13-5-6-15(26-2)20(27-3)14(13)10-24;5-1(3(7)8)2(6)4(9)10/h5-6,9,18-19,24-25H,7-8,10-11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)