4,5-dimethyl-2-(nonadecanoylamino)-3-oxidanyl-benzenesulfonic acid

Systemtic Name: 4,5-dimethyl-2-(nonadecanoylamino)-3-oxidanyl-benzenesulfonic acid Openeye Name: 3-hydroxy-4,5-dimethyl-2-(nonadecanoylamino)benzenesulfonic acid CAS Name: 3-hydroxy-4,5-dimethyl-2-(1-oxononadecylamino)benzenesulfonic acid IUPAC Name: 3-hydroxy-4,5-dimethyl-2-(nonadecanoylamino)benzenesulfonic acid Traditional Name: 3-hydroxy-4,5-dimethyl-2-(nonadecanoylamino)besylic acid Formula: C27H47NO5S MolecularWeight: 497.73078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C(=C1O)C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C(=C1O)C)C)S(=O)(=O)O

InChI

InChI=1S/C27H47NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)28-26-24(34(31,32)33)21-22(2)23(3)27(26)30/h21,30H,4-20H2,1-3H3,(H,28,29)(H,31,32,33)