2,6-ditert-butyl-4-(6-pyridin-3-ylhex-5-ynoxymethyl)phenol

Systemtic Name: 2,6-ditert-butyl-4-(6-pyridin-3-ylhex-5-ynoxymethyl)phenol Openeye Name: 2,6-ditert-butyl-4-[6-(3-pyridyl)hex-5-ynoxymethyl]phenol CAS Name: 2,6-ditert-butyl-4-[6-(3-pyridinyl)hex-5-ynoxymethyl]phenol IUPAC Name: 2,6-ditert-butyl-4-(6-pyridin-3-ylhex-5-ynoxymethyl)phenol Traditional Name: 2,6-ditert-butyl-4-[6-(3-pyridyl)hex-5-ynoxymethyl]phenol Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COCCCCC#CC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COCCCCC#CC2=CN=CC=C2

InChI

InChI=1S/C26H35NO2/c1-25(2,3)22-16-21(17-23(24(22)28)26(4,5)6)19-29-15-10-8-7-9-12-20-13-11-14-27-18-20/h11,13-14,16-18,28H,7-8,10,15,19H2,1-6H3