6-(ethylamino)-3,5-bis(oxidanyl)-5-(2-oxidanylpropyl)cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 6-(ethylamino)-3,5-bis(oxidanyl)-5-(2-oxidanylpropyl)cyclohexa-1,3-diene-1-carboxylate Openeye Name: 6-(ethylamino)-3,5-dihydroxy-5-(2-hydroxypropyl)cyclohexa-1,3-diene-1-carboxylate CAS Name: 6-(ethylamino)-3,5-dihydroxy-5-(2-hydroxypropyl)-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: 6-(ethylamino)-3,5-dihydroxy-5-(2-hydroxypropyl)cyclohexa-1,3-diene-1-carboxylate Traditional Name: 6-(ethylamino)-3,5-dihydroxy-5-(2-hydroxypropyl)cyclohexa-1,3-diene-1-carboxylate Formula: C12H18NO5- MolecularWeight: 256.27502

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1C(=CC(=CC1(CC(C)O)O)O)C(=O)[O-]

Isomeric SMILES

CCNC1C(=CC(=CC1(CC(C)O)O)O)C(=O)[O-]

InChI

InChI=1S/C12H19NO5/c1-3-13-10-9(11(16)17)4-8(15)6-12(10,18)5-7(2)14/h4,6-7,10,13-15,18H,3,5H2,1-2H3,(H,16,17)/p-1