2-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-(4,4-diethyl-7-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]phenyl]acetic acid Formula: C24H26O3 MolecularWeight: 362.46144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)CC(=O)O)CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)CC(=O)O)CC

InChI

InChI=1S/C24H26O3/c1-4-24(5-2)12-13-27-22-14-17(3)20(16-21(22)24)11-10-18-6-8-19(9-7-18)15-23(25)26/h6-9,14,16H,4-5,12-13,15H2,1-3H3,(H,25,26)