2-chloranyl-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalate

Systemtic Name: 2-chloranyl-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalate Openeye Name: 2-chloro-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalate CAS Name: 2-chloro-3,5-bis[4-[oxo(prop-1-ynoxy)methyl]phenyl]terephthalate IUPAC Name: 2-chloro-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalate Traditional Name: 2-chloro-3,5-bis(4-prop-1-ynoxycarbonylphenyl)terephthalate Formula: C28H15ClO8-2 MolecularWeight: 514.8669

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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)Cl)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)Cl)C(=O)[O-]

InChI

InChI=1S/C28H17ClO8/c1-3-13-36-27(34)18-9-5-16(6-10-18)20-15-21(25(30)31)24(29)22(23(20)26(32)33)17-7-11-19(12-8-17)28(35)37-14-4-2/h5-12,15H,1-2H3,(H,30,31)(H,32,33)/p-2