6-chloranyl-4-ethyl-2-oxidanylidene-8-[[[(2R)-oxolan-2-yl]methylazaniumyl]methyl]chromen-7-olate

Systemtic Name: 6-chloranyl-4-ethyl-2-oxidanylidene-8-[[[(2R)-oxolan-2-yl]methylazaniumyl]methyl]chromen-7-olate Openeye Name: 6-chloro-4-ethyl-2-oxo-8-[[[(2R)-tetrahydrofuran-2-yl]methylammonio]methyl]chromen-7-olate CAS Name: 6-chloro-4-ethyl-2-oxo-8-[[[(2R)-2-oxolanyl]methylammonio]methyl]-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-ethyl-2-oxo-8-[[[(2R)-oxolan-2-yl]methylazaniumyl]methyl]chromen-7-olate Traditional Name: 6-chloro-4-ethyl-2-keto-8-[[[(2R)-tetrahydrofuran-2-yl]methylammonio]methyl]chromen-7-olate Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3CCCO3

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C[C@H]3CCCO3

InChI

InChI=1S/C17H20ClNO4/c1-2-10-6-15(20)23-17-12(10)7-14(18)16(21)13(17)9-19-8-11-4-3-5-22-11/h6-7,11,19,21H,2-5,8-9H2,1H3/t11-/m1/s1