[3-chloranyl-5-[(3-dodecoxyphenyl)carbonylamino]-2-methyl-4-oxidanyl-phenyl] methanesulfonate

Systemtic Name: [3-chloranyl-5-[(3-dodecoxyphenyl)carbonylamino]-2-methyl-4-oxidanyl-phenyl] methanesulfonate Openeye Name: [3-chloro-5-[(3-dodecoxybenzoyl)amino]-4-hydroxy-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-chloro-5-[[(3-dodecoxyphenyl)-oxomethyl]amino]-4-hydroxy-2-methylphenyl] ester IUPAC Name: [3-chloro-5-[(3-dodecoxybenzoyl)amino]-4-hydroxy-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-chloro-4-hydroxy-5-[(3-lauryloxybenzoyl)amino]-2-methyl-phenyl] ester Formula: C27H38ClNO6S MolecularWeight: 540.11172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C(=C2O)Cl)C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C(=C2O)Cl)C)OS(=O)(=O)C

InChI

InChI=1S/C27H38ClNO6S/c1-4-5-6-7-8-9-10-11-12-13-17-34-22-16-14-15-21(18-22)27(31)29-23-19-24(35-36(3,32)33)20(2)25(28)26(23)30/h14-16,18-19,30H,4-13,17H2,1-3H3,(H,29,31)