dodec-9-ynyl 2-methylbenzoate

Systemtic Name: dodec-9-ynyl 2-methylbenzoate Openeye Name: dodec-9-ynyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 2-methylbenzoate Traditional Name: 2-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=C1C

Isomeric SMILES

CCC#CCCCCCCCCOC(=O)C1=CC=CC=C1C

InChI

InChI=1S/C20H28O2/c1-3-4-5-6-7-8-9-10-11-14-17-22-20(21)19-16-13-12-15-18(19)2/h12-13,15-16H,3,6-11,14,17H2,1-2H3