2-[5-isothiocyanato-3,4,5-tris(oxidanyl)-3,4-bis(phenylcarbonyl)oxolan-2-yl]-2-oxidanyl-1-phenyl-ethanone

Systemtic Name: 2-[5-isothiocyanato-3,4,5-tris(oxidanyl)-3,4-bis(phenylcarbonyl)oxolan-2-yl]-2-oxidanyl-1-phenyl-ethanone Openeye Name: 2-(3,4-dibenzoyl-3,4,5-trihydroxy-5-isothiocyanato-tetrahydrofuran-2-yl)-2-hydroxy-1-phenyl-ethanone CAS Name: 2-(3,4-dibenzoyl-3,4,5-trihydroxy-5-isothiocyanato-2-oxolanyl)-2-hydroxy-1-phenylethanone IUPAC Name: 2-(3,4-dibenzoyl-3,4,5-trihydroxy-5-isothiocyanatooxolan-2-yl)-2-hydroxy-1-phenylethanone Traditional Name: 2-(3,4-dibenzoyl-3,4,5-trihydroxy-5-isothiocyanato-tetrahydrofuran-2-yl)-2-hydroxy-1-phenyl-ethanone Formula: C27H21NO8S MolecularWeight: 519.52254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C2C(C(C(O2)(N=C=S)O)(C(=O)C3=CC=CC=C3)O)(C(=O)C4=CC=CC=C4)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C2C(C(C(O2)(N=C=S)O)(C(=O)C3=CC=CC=C3)O)(C(=O)C4=CC=CC=C4)O)O

InChI

InChI=1S/C27H21NO8S/c29-20(17-10-4-1-5-11-17)21(30)24-25(33,22(31)18-12-6-2-7-13-18)26(34,27(35,36-24)28-16-37)23(32)19-14-8-3-9-15-19/h1-15,21,24,30,33-35H