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

Systemtic Name: (1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (1-hydroxy-9-oxo-xanthen-3-yl) 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid (1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-9-oxoxanthen-3-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid (1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C26H25NO7S MolecularWeight: 495.5442

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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=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC(=C3C(=C2)OC4=CC=CC=C4C3=O)O

InChI

InChI=1S/C26H25NO7S/c1-17-10-12-19(13-11-17)35(31,32)27-14-6-2-3-9-24(29)33-18-15-21(28)25-23(16-18)34-22-8-5-4-7-20(22)26(25)30/h4-5,7-8,10-13,15-16,27-28H,2-3,6,9,14H2,1H3