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4-hexadecoxy-1-oxidanyl-naphthalene-2-carboxylic acid

4-hexadecoxy-1-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name:4-hexadecoxy-1-oxidanyl-naphthalene-2-carboxylic acid
Openeye Name:4-hexadecoxy-1-hydroxy-naphthalene-2-carboxylic acid
CAS Name:4-hexadecoxy-1-hydroxy-2-naphthalenecarboxylic acid
IUPAC Name:4-hexadecoxy-1-hydroxynaphthalene-2-carboxylic acid
Traditional Name:4-cetyloxy-1-hydroxy-2-naphthoic acid
Formula: C27H40O4
MolecularWeight: 428.6041
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C2=CC=CC=C21)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C2=CC=CC=C21)O)C(=O)O


InChI

InChI=1S/C27H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-31-25-21-24(27(29)30)26(28)23-19-16-15-18-22(23)25/h15-16,18-19,21,28H,2-14,17,20H2,1H3,(H,29,30)


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