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

Systemtic Name: 3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)prop-1-ynyl 3-methyl-2-oxidanyl-benzoate Openeye Name: 3-(4,4-dimethylchroman-8-yl)prop-1-ynyl 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid 3-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl)prop-1-ynyl ester IUPAC Name: 3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)prop-1-ynyl 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid 3-(4,4-dimethylchroman-8-yl)prop-1-ynyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OC#CCC2=CC=CC3=C2OCCC3(C)C

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OC#CCC2=CC=CC3=C2OCCC3(C)C

InChI

InChI=1S/C22H22O4/c1-15-7-4-10-17(19(15)23)21(24)26-13-6-9-16-8-5-11-18-20(16)25-14-12-22(18,2)3/h4-5,7-8,10-11,23H,9,12,14H2,1-3H3