2-[2-[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-hydroxy-1-naphthyl]oxy]ethylsulfanyl]acetic acid CAS Name: 2-[2-[[3-[(2-dodecoxy-5-methylanilino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]ethylthio]acetic acid IUPAC Name: 2-[2-[3-[(2-dodecoxy-5-methylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]oxyethylsulfanyl]acetic acid Traditional Name: 2-[2-[4-hydroxy-3-[(2-lauryloxy-5-methyl-phenyl)carbamoyl]-1-naphthoxy]ethylthio]acetic acid Formula: C34H45NO6S MolecularWeight: 595.7892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OCCSCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OCCSCC(=O)O)O

InChI

InChI=1S/C34H45NO6S/c1-3-4-5-6-7-8-9-10-11-14-19-40-30-18-17-25(2)22-29(30)35-34(39)28-23-31(41-20-21-42-24-32(36)37)26-15-12-13-16-27(26)33(28)38/h12-13,15-18,22-23,38H,3-11,14,19-21,24H2,1-2H3,(H,35,39)(H,36,37)