5-methoxy-2,2-dimethyl-3-oxidanyl-7-phenethyl-3,4-dihydrochromene-8-carboxylic acid

Systemtic Name: 5-methoxy-2,2-dimethyl-3-oxidanyl-7-phenethyl-3,4-dihydrochromene-8-carboxylic acid Openeye Name: 3-hydroxy-5-methoxy-2,2-dimethyl-7-phenethyl-chromane-8-carboxylic acid CAS Name: 3-hydroxy-5-methoxy-2,2-dimethyl-7-phenethyl-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid IUPAC Name: 3-hydroxy-5-methoxy-2,2-dimethyl-7-phenethyl-3,4-dihydrochromene-8-carboxylic acid Traditional Name: 3-hydroxy-5-methoxy-2,2-dimethyl-7-phenethyl-chroman-8-carboxylic acid Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(C=C(C(=C2O1)C(=O)O)CCC3=CC=CC=C3)OC)O)C

Isomeric SMILES

CC1(C(CC2=C(C=C(C(=C2O1)C(=O)O)CCC3=CC=CC=C3)OC)O)C

InChI

InChI=1S/C21H24O5/c1-21(2)17(22)12-15-16(25-3)11-14(18(20(23)24)19(15)26-21)10-9-13-7-5-4-6-8-13/h4-8,11,17,22H,9-10,12H2,1-3H3,(H,23,24)