2-[6-isothiocyanato-3,4,6-tris(oxidanyl)-3,4-bis(phenylcarbonyl)oxan-2-yl]-2-oxidanyl-1-phenyl-ethanone

Systemtic Name: 2-[6-isothiocyanato-3,4,6-tris(oxidanyl)-3,4-bis(phenylcarbonyl)oxan-2-yl]-2-oxidanyl-1-phenyl-ethanone Openeye Name: 2-(3,4-dibenzoyl-3,4,6-trihydroxy-6-isothiocyanato-tetrahydropyran-2-yl)-2-hydroxy-1-phenyl-ethanone CAS Name: 2-(3,4-dibenzoyl-3,4,6-trihydroxy-6-isothiocyanato-2-oxanyl)-2-hydroxy-1-phenylethanone IUPAC Name: 2-(3,4-dibenzoyl-3,4,6-trihydroxy-6-isothiocyanatooxan-2-yl)-2-hydroxy-1-phenylethanone Traditional Name: 2-(3,4-dibenzoyl-3,4,6-trihydroxy-6-isothiocyanato-tetrahydropyran-2-yl)-2-hydroxy-1-phenyl-ethanone Formula: C28H23NO8S MolecularWeight: 533.54912

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(OC1(N=C=S)O)C(C(=O)C2=CC=CC=C2)O)(C(=O)C3=CC=CC=C3)O)(C(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C(C(C(OC1(N=C=S)O)C(C(=O)C2=CC=CC=C2)O)(C(=O)C3=CC=CC=C3)O)(C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C28H23NO8S/c30-21(18-10-4-1-5-11-18)22(31)25-28(36,24(33)20-14-8-3-9-15-20)26(34,16-27(35,37-25)29-17-38)23(32)19-12-6-2-7-13-19/h1-15,22,25,31,34-36H,16H2