2-[2-acetamido-1,3-bis(methoxycarbonyloxy)azulen-6-yl]ethanoic acid

Systemtic Name: 2-[2-acetamido-1,3-bis(methoxycarbonyloxy)azulen-6-yl]ethanoic acid Openeye Name: 2-[2-acetamido-1,3-bis(methoxycarbonyloxy)azulen-6-yl]acetic acid CAS Name: 2-[2-acetamido-1,3-bis(methoxycarbonyloxy)-6-azulenyl]acetic acid IUPAC Name: 2-[2-acetamido-1,3-bis(methoxycarbonyloxy)azulen-6-yl]acetic acid Traditional Name: 2-(2-acetamido-1,3-dicarbomethoxyoxy-azulen-6-yl)acetic acid Formula: C18H17NO9 MolecularWeight: 391.32888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO9/c1-9(20)19-14-15(27-17(23)25-2)11-6-4-10(8-13(21)22)5-7-12(11)16(14)28-18(24)26-3/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22)