5-methoxy-8-phenyl-2,3,7,8,9,9a-hexahydro-1H-phenalene-1-carboxylic acid

Systemtic Name: 5-methoxy-8-phenyl-2,3,7,8,9,9a-hexahydro-1H-phenalene-1-carboxylic acid Openeye Name: 5-methoxy-8-phenyl-2,3,7,8,9,9a-hexahydro-1H-phenalene-1-carboxylic acid CAS Name: 5-methoxy-8-phenyl-2,3,7,8,9,9a-hexahydro-1H-phenalene-1-carboxylic acid IUPAC Name: 5-methoxy-8-phenyl-2,3,7,8,9,9a-hexahydro-1H-phenalene-1-carboxylic acid Traditional Name: 5-methoxy-8-phenyl-2,3,7,8,9,9a-hexahydro-1H-phenalene-1-carboxylic acid Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C3C(CC(C2)C4=CC=CC=C4)C(CCC3=C1)C(=O)O

Isomeric SMILES

COC1=CC2=C3C(CC(C2)C4=CC=CC=C4)C(CCC3=C1)C(=O)O

InChI

InChI=1S/C21H22O3/c1-24-17-10-14-7-8-18(21(22)23)19-12-15(9-16(11-17)20(14)19)13-5-3-2-4-6-13/h2-6,10-11,15,18-19H,7-9,12H2,1H3,(H,22,23)