2-methyl-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalic acid

Systemtic Name: 2-methyl-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalic acid Openeye Name: 2-methyl-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalic acid CAS Name: 2-methyl-3,5-bis[4-[oxo(prop-1-ynoxy)methyl]phenyl]terephthalic acid IUPAC Name: 2-methyl-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalic acid Traditional Name: 2-methyl-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalic acid Formula: C29H20O8 MolecularWeight: 496.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC#COC(=O)C1=CC=C(C=C1)C2=CC(=C(C(=C2C(=O)O)C3=CC=C(C=C3)C(=O)OC#CC)C)C(=O)O

Isomeric SMILES

CC#COC(=O)C1=CC=C(C=C1)C2=CC(=C(C(=C2C(=O)O)C3=CC=C(C=C3)C(=O)OC#CC)C)C(=O)O

InChI

InChI=1S/C29H20O8/c1-4-14-36-28(34)20-10-6-18(7-11-20)23-16-22(26(30)31)17(3)24(25(23)27(32)33)19-8-12-21(13-9-19)29(35)37-15-5-2/h6-13,16H,1-3H3,(H,30,31)(H,32,33)