2-[4-[(8-ethynyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbonyloxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(8-ethynyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbonyloxy]phenyl]ethanoic acid Openeye Name: 2-[4-(8-ethynyl-2,2,4,4-tetramethyl-chromane-6-carbonyl)oxyphenyl]acetic acid CAS Name: 2-[4-[(8-ethynyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-oxomethoxy]phenyl]acetic acid IUPAC Name: 2-[4-(8-ethynyl-2,2,4,4-tetramethyl-3H-chromene-6-carbonyl)oxyphenyl]acetic acid Traditional Name: 2-[4-(8-ethynyl-2,2,4,4-tetramethyl-chroman-6-carbonyl)oxyphenyl]acetic acid Formula: C24H24O5 MolecularWeight: 392.44436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C1C=C(C=C2C#C)C(=O)OC3=CC=C(C=C3)CC(=O)O)(C)C)C

Isomeric SMILES

CC1(CC(OC2=C1C=C(C=C2C#C)C(=O)OC3=CC=C(C=C3)CC(=O)O)(C)C)C

InChI

InChI=1S/C24H24O5/c1-6-16-12-17(13-19-21(16)29-24(4,5)14-23(19,2)3)22(27)28-18-9-7-15(8-10-18)11-20(25)26/h1,7-10,12-13H,11,14H2,2-5H3,(H,25,26)