methyl 4-[3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[3-(4,4-dimethylchroman-8-yl)-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoate CAS Name: 4-[3-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3-hydroxyprop-1-ynyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)-3-hydroxyprop-1-ynyl]-2-hydroxybenzoate Traditional Name: 4-[3-(4,4-dimethylchroman-8-yl)-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoic acid methyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=CC=C2C(C#CC3=CC(=C(C=C3)C(=O)OC)O)O)C

Isomeric SMILES

CC1(CCOC2=C1C=CC=C2C(C#CC3=CC(=C(C=C3)C(=O)OC)O)O)C

InChI

InChI=1S/C22H22O5/c1-22(2)11-12-27-20-15(5-4-6-17(20)22)18(23)10-8-14-7-9-16(19(24)13-14)21(25)26-3/h4-7,9,13,18,23-24H,11-12H2,1-3H3