4-[(2-oxidanylchromen-4-ylidene)azaniumylmethyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[(2-oxidanylchromen-4-ylidene)azaniumylmethyl]cyclohexane-1-carboxylate Openeye Name: 4-[(2-hydroxychromen-4-ylidene)ammoniomethyl]cyclohexanecarboxylate CAS Name: 4-[(2-hydroxy-1-benzopyran-4-ylidene)ammoniomethyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[(2-hydroxychromen-4-ylidene)azaniumylmethyl]cyclohexane-1-carboxylate Traditional Name: 4-[(2-hydroxychromen-4-ylidene)ammoniomethyl]cyclohexanecarboxylate Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C[NH+]=C2C=C(OC3=CC=CC=C32)O)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1C[NH+]=C2C=C(OC3=CC=CC=C32)O)C(=O)[O-]

InChI

InChI=1S/C17H19NO4/c19-16-9-14(13-3-1-2-4-15(13)22-16)18-10-11-5-7-12(8-6-11)17(20)21/h1-4,9,11-12,19H,5-8,10H2,(H,20,21)