6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-[[[(2R)-oxolan-2-yl]methylazaniumyl]methyl]chromen-7-olate

Systemtic Name: 6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-[[[(2R)-oxolan-2-yl]methylazaniumyl]methyl]chromen-7-olate Openeye Name: 6-chloro-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-8-[[[(2R)-tetrahydrofuran-2-yl]methylammonio]methyl]chromen-7-olate CAS Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[[[(2R)-2-oxolanyl]methylammonio]methyl]-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[[[(2R)-oxolan-2-yl]methylazaniumyl]methyl]chromen-7-olate Traditional Name: 6-chloro-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-8-[[[(2R)-tetrahydrofuran-2-yl]methylammonio]methyl]chromen-7-olate Formula: C19H22ClNO6 MolecularWeight: 395.83408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3CCCO3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C[C@H]3CCCO3)CC(=O)OC

InChI

InChI=1S/C19H22ClNO6/c1-10-12-6-15(20)17(23)14(9-21-8-11-4-3-5-26-11)18(12)27-19(24)13(10)7-16(22)25-2/h6,11,21,23H,3-5,7-9H2,1-2H3/t11-/m1/s1