1-[4-(4-hexoxyphenyl)phenoxy]hexyl hex-5-ynoate

Systemtic Name: 1-[4-(4-hexoxyphenyl)phenoxy]hexyl hex-5-ynoate Openeye Name: 1-[4-(4-hexoxyphenyl)phenoxy]hexyl hex-5-ynoate CAS Name: 5-hexynoic acid 1-[4-(4-hexoxyphenyl)phenoxy]hexyl ester IUPAC Name: 1-[4-(4-hexoxyphenyl)phenoxy]hexyl hex-5-ynoate Traditional Name: hex-5-ynoic acid 1-[4-(4-hexoxyphenyl)phenoxy]hexyl ester Formula: C30H40O4 MolecularWeight: 464.6362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(CCCCC)OC(=O)CCCC#C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(CCCCC)OC(=O)CCCC#C

InChI

InChI=1S/C30H40O4/c1-4-7-10-13-24-32-27-20-16-25(17-21-27)26-18-22-28(23-19-26)33-30(15-12-9-6-3)34-29(31)14-11-8-5-2/h2,16-23,30H,4,6-15,24H2,1,3H3