dodec-9-ynyl 4-butylbenzoate

Systemtic Name: dodec-9-ynyl 4-butylbenzoate Openeye Name: dodec-9-ynyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid dodec-9-ynyl ester Formula: C23H34O2 MolecularWeight: 342.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCCCCCCCCC#CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCCCCCCCCC#CCC

InChI

InChI=1S/C23H34O2/c1-3-5-7-8-9-10-11-12-13-14-20-25-23(24)22-18-16-21(17-19-22)15-6-4-2/h16-19H,3-4,6,8-15,20H2,1-2H3