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

Systemtic Name: 6-chloranyl-4-methyl-2-oxidanylidene-8-[[[(2R)-oxolan-2-yl]methylazaniumyl]methyl]-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-6-chloro-4-methyl-2-oxo-8-[[[(2R)-tetrahydrofuran-2-yl]methylammonio]methyl]chromen-7-olate CAS Name: 6-chloro-4-methyl-2-oxo-8-[[[(2R)-2-oxolanyl]methylammonio]methyl]-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-6-chloro-4-methyl-2-oxo-8-[[[(2R)-oxolan-2-yl]methylazaniumyl]methyl]chromen-7-olate Traditional Name: 3-benzyl-6-chloro-2-keto-4-methyl-8-[[[(2R)-tetrahydrofuran-2-yl]methylammonio]methyl]chromen-7-olate Formula: C23H24ClNO4 MolecularWeight: 413.89396

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C[C@H]3CCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24ClNO4/c1-14-17-11-20(24)21(26)19(13-25-12-16-8-5-9-28-16)22(17)29-23(27)18(14)10-15-6-3-2-4-7-15/h2-4,6-7,11,16,25-26H,5,8-10,12-13H2,1H3/t16-/m1/s1