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4-hexadecoxy-3-(3-oxidanylidenebutanoylamino)benzoic acid

4-hexadecoxy-3-(3-oxidanylidenebutanoylamino)benzoic acid

Systemtic Name:4-hexadecoxy-3-(3-oxidanylidenebutanoylamino)benzoic acid
Openeye Name:4-hexadecoxy-3-(3-oxobutanoylamino)benzoic acid
CAS Name:3-(1,3-dioxobutylamino)-4-hexadecoxybenzoic acid
IUPAC Name:4-hexadecoxy-3-(3-oxobutanoylamino)benzoic acid
Traditional Name:3-(acetoacetylamino)-4-cetyloxy-benzoic acid
Formula: C27H43NO5
MolecularWeight: 461.63402
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)NC(=O)CC(=O)C


Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)NC(=O)CC(=O)C


InChI

InChI=1S/C27H43NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-25-18-17-23(27(31)32)21-24(25)28-26(30)20-22(2)29/h17-18,21H,3-16,19-20H2,1-2H3,(H,28,30)(H,31,32)


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