6-methyl-7,8,13,14-tetrahydro-5H-benzo[e][2]benzazecine-3,10-diol hydrate

Systemtic Name: 6-methyl-7,8,13,14-tetrahydro-5H-benzo[e][2]benzazecine-3,10-diol hydrate Openeye Name: 6-methyl-7,8,13,14-tetrahydro-5H-benzo[e][2]benzazecine-3,10-diol hydrate CAS Name: 6-methyl-7,8,13,14-tetrahydro-5H-benzo[e][2]benzazecine-3,10-diol hydrate IUPAC Name: 6-methyl-7,8,13,14-tetrahydro-5H-benzo[e][2]benzazecine-3,10-diol hydrate Traditional Name: 6-methyl-7,8,13,14-tetrahydro-5H-benzo[e][2]benzazecine-3,10-diol hydrate Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CCC3=C(C1)C=C(C=C3)O)C=CC(=C2)O.O

Isomeric SMILES

CN1CCC2=C(CCC3=C(C1)C=C(C=C3)O)C=CC(=C2)O.O

InChI

InChI=1S/C18H21NO2.H2O/c1-19-9-8-15-10-17(20)6-4-13(15)2-3-14-5-7-18(21)11-16(14)12-19;/h4-7,10-11,20-21H,2-3,8-9,12H2,1H3;1H2