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

Systemtic Name: prop-1-ynyl 3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)-2-oxidanyl-benzoate Openeye Name: prop-1-ynyl 3-(4,4-dimethylchroman-8-yl)-2-hydroxy-benzoate CAS Name: 3-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl)-2-hydroxybenzoic acid prop-1-ynyl ester IUPAC Name: prop-1-ynyl 3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)-2-hydroxybenzoate Traditional Name: 3-(4,4-dimethylchroman-8-yl)-2-hydroxy-benzoic acid prop-1-ynyl ester Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC#COC(=O)C1=CC=CC(=C1O)C2=C3C(=CC=C2)C(CCO3)(C)C

Isomeric SMILES

CC#COC(=O)C1=CC=CC(=C1O)C2=C3C(=CC=C2)C(CCO3)(C)C

InChI

InChI=1S/C21H20O4/c1-4-12-25-20(23)16-9-5-7-14(18(16)22)15-8-6-10-17-19(15)24-13-11-21(17,2)3/h5-10,22H,11,13H2,1-3H3