[1-[2-(hydroxymethyl)naphthalen-1-yl]naphthalen-2-yl]methyl hexanoate

Systemtic Name: [1-[2-(hydroxymethyl)naphthalen-1-yl]naphthalen-2-yl]methyl hexanoate Openeye Name: [1-[2-(hydroxymethyl)-1-naphthyl]-2-naphthyl]methyl hexanoate CAS Name: hexanoic acid [1-[2-(hydroxymethyl)-1-naphthalenyl]-2-naphthalenyl]methyl ester IUPAC Name: [1-[2-(hydroxymethyl)naphthalen-1-yl]naphthalen-2-yl]methyl hexanoate Traditional Name: hexanoic acid [1-(2-methylol-1-naphthyl)-2-naphthyl]methyl ester Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)CO

Isomeric SMILES

CCCCCC(=O)OCC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)CO

InChI

InChI=1S/C28H28O3/c1-2-3-4-13-26(30)31-19-23-17-15-21-10-6-8-12-25(21)28(23)27-22(18-29)16-14-20-9-5-7-11-24(20)27/h5-12,14-17,29H,2-4,13,18-19H2,1H3