1-[[2-chloranyl-4,5-bis(oxidanyl)phenyl]methyl]-6-oxidanylidene-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carbaldehyde

Systemtic Name: 1-[[2-chloranyl-4,5-bis(oxidanyl)phenyl]methyl]-6-oxidanylidene-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carbaldehyde Openeye Name: 1-[(2-chloro-4,5-dihydroxy-phenyl)methyl]-6-oxo-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carbaldehyde CAS Name: 1-[(2-chloro-4,5-dihydroxyphenyl)methyl]-6-oxo-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carboxaldehyde IUPAC Name: 1-[(2-chloro-4,5-dihydroxyphenyl)methyl]-6-oxo-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carbaldehyde Traditional Name: 1-(2-chloro-4,5-dihydroxy-benzyl)-6-keto-1,3,4,4a,5,8a-hexahydroisoquinoline-2-carbaldehyde Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2C1CC(=O)C=C2)CC3=CC(=C(C=C3Cl)O)O)C=O

Isomeric SMILES

C1CN(C(C2C1CC(=O)C=C2)CC3=CC(=C(C=C3Cl)O)O)C=O

InChI

InChI=1S/C17H18ClNO4/c18-14-8-17(23)16(22)7-11(14)6-15-13-2-1-12(21)5-10(13)3-4-19(15)9-20/h1-2,7-10,13,15,22-23H,3-6H2