pyren-1-ylmethyl 3,5-bis(oxan-2-yloxy)benzoate

Systemtic Name: pyren-1-ylmethyl 3,5-bis(oxan-2-yloxy)benzoate Openeye Name: pyren-1-ylmethyl 3,5-di(tetrahydropyran-2-yloxy)benzoate CAS Name: 3,5-bis(2-oxanyloxy)benzoic acid 1-pyrenylmethyl ester IUPAC Name: pyren-1-ylmethyl 3,5-bis(oxan-2-yloxy)benzoate Traditional Name: 3,5-di(tetrahydropyran-2-yloxy)benzoic acid pyren-1-ylmethyl ester Formula: C34H32O6 MolecularWeight: 536.61428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2=CC(=CC(=C2)C(=O)OCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)OC7CCCCO7

Isomeric SMILES

C1CCOC(C1)OC2=CC(=CC(=C2)C(=O)OCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)OC7CCCCO7

InChI

InChI=1S/C34H32O6/c35-34(38-21-25-13-12-24-11-10-22-6-5-7-23-14-15-29(25)33(24)32(22)23)26-18-27(39-30-8-1-3-16-36-30)20-28(19-26)40-31-9-2-4-17-37-31/h5-7,10-15,18-20,30-31H,1-4,8-9,16-17,21H2