[4,4-dimethyl-5-oxidanyl-2-oxidanylidene-6-(propanoylamino)-1,3-dihydroquinolin-8-yl] dodecane-1-sulfonate

Systemtic Name: [4,4-dimethyl-5-oxidanyl-2-oxidanylidene-6-(propanoylamino)-1,3-dihydroquinolin-8-yl] dodecane-1-sulfonate Openeye Name: [5-hydroxy-4,4-dimethyl-2-oxo-6-(propanoylamino)-1,3-dihydroquinolin-8-yl] dodecane-1-sulfonate CAS Name: 1-dodecanesulfonic acid IUPAC Name: [5-hydroxy-4,4-dimethyl-2-oxo-6-(propanoylamino)-1,3-dihydroquinolin-8-yl] dodecane-1-sulfonate Traditional Name: dodecane-1-sulfonic acid (5-hydroxy-2-keto-4,4-dimethyl-6-propionamido-1,3-dihydroquinolin-8-yl) ester Formula: C26H42N2O6S MolecularWeight: 510.68648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)OC1=C2C(=C(C(=C1)NC(=O)CC)O)C(CC(=O)N2)(C)C

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)OC1=C2C(=C(C(=C1)NC(=O)CC)O)C(CC(=O)N2)(C)C

InChI

InChI=1S/C26H42N2O6S/c1-5-7-8-9-10-11-12-13-14-15-16-35(32,33)34-20-17-19(27-21(29)6-2)25(31)23-24(20)28-22(30)18-26(23,3)4/h17,31H,5-16,18H2,1-4H3,(H,27,29)(H,28,30)