2-[2-[2-[2-(1-oxidanyl-1-oxidanylidene-hept-5-yn-2-yl)phenyl]propan-2-yl]phenyl]hept-5-ynoic acid

Systemtic Name: 2-[2-[2-[2-(1-oxidanyl-1-oxidanylidene-hept-5-yn-2-yl)phenyl]propan-2-yl]phenyl]hept-5-ynoic acid Openeye Name: 2-[2-[1-[2-(1-carboxyhex-4-ynyl)phenyl]-1-methyl-ethyl]phenyl]hept-5-ynoic acid CAS Name: 2-[2-[2-[2-(1-hydroxy-1-oxohept-5-yn-2-yl)phenyl]propan-2-yl]phenyl]-5-heptynoic acid IUPAC Name: 2-[2-[2-[2-(1-hydroxy-1-oxohept-5-yn-2-yl)phenyl]propan-2-yl]phenyl]hept-5-ynoic acid Traditional Name: 2-[2-[1-[2-(1-carboxyhex-4-ynyl)phenyl]-1-methyl-ethyl]phenyl]hept-5-ynoic acid Formula: C29H32O4 MolecularWeight: 444.56198

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCC(C1=CC=CC=C1C(C)(C)C2=CC=CC=C2C(CCC#CC)C(=O)O)C(=O)O

Isomeric SMILES

CC#CCCC(C1=CC=CC=C1C(C)(C)C2=CC=CC=C2C(CCC#CC)C(=O)O)C(=O)O

InChI

InChI=1S/C29H32O4/c1-5-7-9-17-23(27(30)31)21-15-11-13-19-25(21)29(3,4)26-20-14-12-16-22(26)24(28(32)33)18-10-8-6-2/h11-16,19-20,23-24H,9-10,17-18H2,1-4H3,(H,30,31)(H,32,33)