(6S,7S,8S)-7-chloranyl-6-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-7-nitro-6,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-ol

Systemtic Name: (6S,7S,8S)-7-chloranyl-6-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-7-nitro-6,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-ol Openeye Name: (6S,7S,8S)-6-(4-benzyloxy-3,5-dimethoxy-phenyl)-7-chloro-7-nitro-6,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-ol CAS Name: (6S,7S,8S)-7-chloro-6-(3,5-dimethoxy-4-phenylmethoxyphenyl)-7-nitro-6,8-dihydro-[1,3]dioxolo[4,5-g][1]benzopyran-8-ol IUPAC Name: (6S,7S,8S)-7-chloro-6-(3,5-dimethoxy-4-phenylmethoxyphenyl)-7-nitro-6,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-ol Traditional Name: (6S,7S,8S)-6-(4-benzoxy-3,5-dimethoxy-phenyl)-7-chloro-7-nitro-6,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-ol Formula: C25H22ClNO9 MolecularWeight: 515.89648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3C(C(C4=CC5=C(C=C4O3)OCO5)O)([N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)[C@H]3[C@@]([C@H](C4=CC5=C(C=C4O3)OCO5)O)([N+](=O)[O-])Cl

InChI

InChI=1S/C25H22ClNO9/c1-31-20-8-15(9-21(32-2)22(20)33-12-14-6-4-3-5-7-14)24-25(26,27(29)30)23(28)16-10-18-19(35-13-34-18)11-17(16)36-24/h3-11,23-24,28H,12-13H2,1-2H3/t23-,24-,25+/m0/s1