O1-dodec-9-ynyl O2-(3-methylphenyl) benzene-1,2-dicarboxylate

Systemtic Name: O1-dodec-9-ynyl O2-(3-methylphenyl) benzene-1,2-dicarboxylate Openeye Name: O1-dodec-9-ynyl O2-(m-tolyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-dodec-9-ynyl ester O2-(3-methylphenyl) ester IUPAC Name: 1-O-dodec-9-ynyl 2-O-(3-methylphenyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-dodec-9-ynyl ester O2-(m-tolyl) ester Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=CC(=C2)C

Isomeric SMILES

CCC#CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=CC(=C2)C

InChI

InChI=1S/C27H32O4/c1-3-4-5-6-7-8-9-10-11-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-23-17-15-16-22(2)21-23/h12-13,15-19,21H,3,6-11,14,20H2,1-2H3