(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid (1-hydroxy-9-keto-5-methyl-xanthen-3-yl) ester Formula: C27H27NO7S MolecularWeight: 509.57078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC=C4C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC=C4C)O

InChI

InChI=1S/C27H27NO7S/c1-17-10-12-20(13-11-17)36(32,33)28-14-5-3-4-9-24(30)34-19-15-22(29)25-23(16-19)35-27-18(2)7-6-8-21(27)26(25)31/h6-8,10-13,15-16,28-29H,3-5,9,14H2,1-2H3