(7-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (7-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (7-chloro-1-hydroxy-9-oxo-xanthen-3-yl) (2R)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2R)-2-(phenylmethoxycarbonylamino)propanoic acid (7-chloro-1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (7-chloro-1-hydroxy-9-oxoxanthen-3-yl) (2R)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)propionic acid (7-chloro-1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C24H18ClNO7 MolecularWeight: 467.85522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)Cl)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)Cl)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H18ClNO7/c1-13(26-24(30)31-12-14-5-3-2-4-6-14)23(29)32-16-10-18(27)21-20(11-16)33-19-8-7-15(25)9-17(19)22(21)28/h2-11,13,27H,12H2,1H3,(H,26,30)/t13-/m1/s1