[2-acetamido-3-carboxyoxy-6-(dimethoxyphosphorylmethyl)azulen-1-yl] hydrogen carbonate

Systemtic Name: [2-acetamido-3-carboxyoxy-6-(dimethoxyphosphorylmethyl)azulen-1-yl] hydrogen carbonate Openeye Name: [2-acetamido-3-carboxyoxy-6-(dimethoxyphosphorylmethyl)azulen-1-yl] hydrogen carbonate CAS Name: carbonic acid [2-acetamido-3-carboxyoxy-6-(dimethoxyphosphorylmethyl)-1-azulenyl] ester IUPAC Name: [2-acetamido-3-carboxyoxy-6-(dimethoxyphosphorylmethyl)azulen-1-yl] hydrogen carbonate Traditional Name: carbonic acid [2-acetamido-3-carboxyoxy-6-(dimethoxyphosphorylmethyl)azulen-1-yl] ester Formula: C17H18NO10P MolecularWeight: 427.299281

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=CC=C(C=CC2=C1OC(=O)O)CP(=O)(OC)OC)OC(=O)O

Isomeric SMILES

CC(=O)NC1=C(C2=CC=C(C=CC2=C1OC(=O)O)CP(=O)(OC)OC)OC(=O)O

InChI

InChI=1S/C17H18NO10P/c1-9(19)18-13-14(27-16(20)21)11-6-4-10(8-29(24,25-2)26-3)5-7-12(11)15(13)28-17(22)23/h4-7H,8H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)