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4-methyl-2-[[(E)-octadec-9-enoyl]amino]-3-oxidanyl-benzoic acid

4-methyl-2-[[(E)-octadec-9-enoyl]amino]-3-oxidanyl-benzoic acid

Systemtic Name:4-methyl-2-[[(E)-octadec-9-enoyl]amino]-3-oxidanyl-benzoic acid
Openeye Name:3-hydroxy-4-methyl-2-[[(E)-octadec-9-enoyl]amino]benzoic acid
CAS Name:3-hydroxy-4-methyl-2-[[(E)-1-oxooctadec-9-enyl]amino]benzoic acid
IUPAC Name:3-hydroxy-4-methyl-2-[[(E)-octadec-9-enoyl]amino]benzoic acid
Traditional Name:3-hydroxy-4-methyl-2-[[(E)-octadec-9-enoyl]amino]benzoic acid
Formula: C26H41NO4
MolecularWeight: 431.60804
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C(C=CC(=C1O)C)C(=O)O


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=C(C=CC(=C1O)C)C(=O)O


InChI

InChI=1S/C26H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)27-24-22(26(30)31)20-19-21(2)25(24)29/h10-11,19-20,29H,3-9,12-18H2,1-2H3,(H,27,28)(H,30,31)/b11-10+


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