acetyloxy-[(3R,6R,7S,8R,9S)-8-acetyloxy-3-ethyl-9-(phenylmethoxymethyl)-5,11-dioxaspiro[5.5]undecan-7-yl]mercury

Systemtic Name: acetyloxy-[(3R,6R,7S,8R,9S)-8-acetyloxy-3-ethyl-9-(phenylmethoxymethyl)-5,11-dioxaspiro[5.5]undecan-7-yl]mercury Openeye Name: acetoxy-[(3R,6R,7S,8R,9S)-8-acetoxy-9-(benzyloxymethyl)-3-ethyl-5,11-dioxaspiro[5.5]undecan-7-yl]mercury CAS Name: acetyloxy-[(3R,6R,7S,8R,9S)-8-acetyloxy-3-ethyl-9-(phenylmethoxymethyl)-5,11-dioxaspiro[5.5]undecan-7-yl]mercury IUPAC Name: acetyloxy-[(3R,6R,7S,8R,9S)-8-acetyloxy-3-ethyl-9-(phenylmethoxymethyl)-5,11-dioxaspiro[5.5]undecan-7-yl]mercury Traditional Name: acetoxy-[(3R,6R,7S,8R,9S)-8-acetoxy-9-(benzoxymethyl)-3-ethyl-5,11-dioxaspiro[5.5]undecan-7-yl]mercury Formula: C23H32HgO7 MolecularWeight: 621.08598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2(C(C(C(CO2)COCC3=CC=CC=C3)OC(=O)C)[Hg]OC(=O)C)OC1

Isomeric SMILES

CC[C@@H]1CC[C@@]2([C@H]([C@@H]([C@H](CO2)COCC3=CC=CC=C3)OC(=O)C)[Hg]OC(=O)C)OC1

InChI

InChI=1S/C21H29O5.C2H4O2.Hg/c1-3-17-9-10-21(24-13-17)11-20(26-16(2)22)19(15-25-21)14-23-12-18-7-5-4-6-8-18;1-2(3)4;/h4-8,11,17,19-20H,3,9-10,12-15H2,1-2H3;1H3,(H,3,4);/q;;+1/p-1/t17-,19+,20+,21-;;/m1../s1