6-hexadecoxynaphthalene-2-carboxylic acid

Systemtic Name: 6-hexadecoxynaphthalene-2-carboxylic acid Openeye Name: 6-hexadecoxynaphthalene-2-carboxylic acid CAS Name: 6-hexadecoxy-2-naphthalenecarboxylic acid IUPAC Name: 6-hexadecoxynaphthalene-2-carboxylic acid Traditional Name: 6-cetyloxy-2-naphthoic acid Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C27H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-26-19-18-23-21-25(27(28)29)17-16-24(23)22-26/h16-19,21-22H,2-15,20H2,1H3,(H,28,29)