dodec-9-ynyl 3-methylbenzoate

Systemtic Name: dodec-9-ynyl 3-methylbenzoate Openeye Name: dodec-9-ynyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid dodec-9-ynyl ester Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCCCCOC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCC#CCCCCCCCCOC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C20H28O2/c1-3-4-5-6-7-8-9-10-11-12-16-22-20(21)19-15-13-14-18(2)17-19/h13-15,17H,3,6-12,16H2,1-2H3