hexadecyl 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: hexadecyl 3-oxidanylnaphthalene-2-carboxylate Openeye Name: hexadecyl 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid cetyl ester Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC2=CC=CC=C2C=C1O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC2=CC=CC=C2C=C1O

InChI

InChI=1S/C27H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-27(29)25-21-23-18-15-16-19-24(23)22-26(25)28/h15-16,18-19,21-22,28H,2-14,17,20H2,1H3