2,3,9,10-tetramethoxy-5,6-dihydroindolo[2,1-a]isoquinoline hydrate

Systemtic Name: 2,3,9,10-tetramethoxy-5,6-dihydroindolo[2,1-a]isoquinoline hydrate Openeye Name: 2,3,9,10-tetramethoxy-5,6-dihydroindolo[2,1-a]isoquinoline hydrate CAS Name: 2,3,9,10-tetramethoxy-5,6-dihydroindolo[2,1-a]isoquinoline hydrate IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroindolo[2,1-a]isoquinoline hydrate Traditional Name: 2,3,9,10-tetramethoxy-5,6-dihydroindol[2,1-a]isoquinoline hydrate Formula: C100H107N5O21 MolecularWeight: 1714.94048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.O

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC.O

InChI

InChI=1S/5C20H21NO4.H2O/c5*1-22-17-8-12-5-6-21-15-11-20(25-4)18(23-2)9-13(15)7-16(21)14(12)10-19(17)24-3;/h5*7-11H,5-6H2,1-4H3;1H2