[4-[4-(3-methylpentanoyloxy)phenyl]phenyl] 4-prop-1-ynylbenzoate

Systemtic Name: [4-[4-(3-methylpentanoyloxy)phenyl]phenyl] 4-prop-1-ynylbenzoate Openeye Name: [4-[4-(3-methylpentanoyloxy)phenyl]phenyl] 4-prop-1-ynylbenzoate CAS Name: 4-prop-1-ynylbenzoic acid [4-[4-(3-methyl-1-oxopentoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(3-methylpentanoyloxy)phenyl]phenyl] 4-prop-1-ynylbenzoate Traditional Name: 4-prop-1-ynylbenzoic acid [4-[4-(3-methylpentanoyloxy)phenyl]phenyl] ester Formula: C28H26O4 MolecularWeight: 426.50364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#CC

Isomeric SMILES

CCC(C)CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#CC

InChI

InChI=1S/C28H26O4/c1-4-6-21-7-9-24(10-8-21)28(30)32-26-17-13-23(14-18-26)22-11-15-25(16-12-22)31-27(29)19-20(3)5-2/h7-18,20H,5,19H2,1-3H3