4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]benzoic acid Formula: C25H26O3 MolecularWeight: 374.47214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C(C=C(C=C21)C#CC3=CC=C(C=C3)C(=O)O)C4CC4)(C)C)C

Isomeric SMILES

CC1(CC(OC2=C(C=C(C=C21)C#CC3=CC=C(C=C3)C(=O)O)C4CC4)(C)C)C

InChI

InChI=1S/C25H26O3/c1-24(2)15-25(3,4)28-22-20(18-11-12-18)13-17(14-21(22)24)6-5-16-7-9-19(10-8-16)23(26)27/h7-10,13-14,18H,11-12,15H2,1-4H3,(H,26,27)