methyl 5-methoxy-3-oxidanyl-8-phenyl-7,8,9,9a-tetrahydro-1H-phenalene-1-carboxylate

Systemtic Name: methyl 5-methoxy-3-oxidanyl-8-phenyl-7,8,9,9a-tetrahydro-1H-phenalene-1-carboxylate Openeye Name: methyl 3-hydroxy-5-methoxy-8-phenyl-7,8,9,9a-tetrahydro-1H-phenalene-1-carboxylate CAS Name: 3-hydroxy-5-methoxy-8-phenyl-7,8,9,9a-tetrahydro-1H-phenalene-1-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-5-methoxy-8-phenyl-7,8,9,9a-tetrahydro-1H-phenalene-1-carboxylate Traditional Name: 3-hydroxy-5-methoxy-8-phenyl-7,8,9,9a-tetrahydro-1H-phenalene-1-carboxylic acid methyl ester Formula: C22H22O4 MolecularWeight: 350.40768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C3C(CC(C2)C4=CC=CC=C4)C(C=C(C3=C1)O)C(=O)OC

Isomeric SMILES

COC1=CC2=C3C(CC(C2)C4=CC=CC=C4)C(C=C(C3=C1)O)C(=O)OC

InChI

InChI=1S/C22H22O4/c1-25-16-9-15-8-14(13-6-4-3-5-7-13)10-17-18(22(24)26-2)12-20(23)19(11-16)21(15)17/h3-7,9,11-12,14,17-18,23H,8,10H2,1-2H3