(6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoate

Systemtic Name: (6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoate Openeye Name: (6-chloro-1-hydroxy-9-oxo-xanthen-3-yl) (2S)-2-(tert-butoxycarbonylamino)-2-phenyl-acetate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylacetic acid (6-chloro-1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (6-chloro-1-hydroxy-9-oxoxanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-2-phenyl-acetic acid (6-chloro-1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C26H22ClNO7 MolecularWeight: 495.90838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O

InChI

InChI=1S/C26H22ClNO7/c1-26(2,3)35-25(32)28-22(14-7-5-4-6-8-14)24(31)33-16-12-18(29)21-20(13-16)34-19-11-15(27)9-10-17(19)23(21)30/h4-13,22,29H,1-3H3,(H,28,32)/t22-/m0/s1