6-[4-(4-heptoxyphenyl)phenyl]carbonyloxyhexyl 4-ethynylbenzoate

Systemtic Name: 6-[4-(4-heptoxyphenyl)phenyl]carbonyloxyhexyl 4-ethynylbenzoate Openeye Name: 6-[4-(4-heptoxyphenyl)benzoyl]oxyhexyl 4-ethynylbenzoate CAS Name: 4-ethynylbenzoic acid 6-[[4-(4-heptoxyphenyl)phenyl]-oxomethoxy]hexyl ester IUPAC Name: 6-[4-(4-heptoxyphenyl)benzoyl]oxyhexyl 4-ethynylbenzoate Traditional Name: 4-ethynylbenzoic acid 6-[4-(4-heptoxyphenyl)benzoyl]oxyhexyl ester Formula: C35H40O5 MolecularWeight: 540.6891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCCCCCOC(=O)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCCCCCOC(=O)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C35H40O5/c1-3-5-6-7-10-25-38-33-23-21-30(22-24-33)29-17-19-32(20-18-29)35(37)40-27-12-9-8-11-26-39-34(36)31-15-13-28(4-2)14-16-31/h2,13-24H,3,5-12,25-27H2,1H3