[1-(1,3-dioxolan-2-yl)-3-(phenylmethyl)dec-5-yn-4-yl] benzoate

Systemtic Name: [1-(1,3-dioxolan-2-yl)-3-(phenylmethyl)dec-5-yn-4-yl] benzoate Openeye Name: 1-[1-benzyl-3-(1,3-dioxolan-2-yl)propyl]hept-2-ynyl benzoate CAS Name: benzoic acid [1-(1,3-dioxolan-2-yl)-3-(phenylmethyl)dec-5-yn-4-yl] ester IUPAC Name: [3-benzyl-1-(1,3-dioxolan-2-yl)dec-5-yn-4-yl] benzoate Traditional Name: benzoic acid 1-[1-benzyl-3-(1,3-dioxolan-2-yl)propyl]hept-2-ynyl ester Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C(CCC1OCCO1)CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC#CC(C(CCC1OCCO1)CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H32O4/c1-2-3-4-11-16-25(31-27(28)23-14-9-6-10-15-23)24(17-18-26-29-19-20-30-26)21-22-12-7-5-8-13-22/h5-10,12-15,24-26H,2-4,17-21H2,1H3