6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-[(3-phenylpropylazaniumyl)methyl]chromen-7-olate

Systemtic Name: 6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-[(3-phenylpropylazaniumyl)methyl]chromen-7-olate Openeye Name: 6-chloro-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-8-[(3-phenylpropylammonio)methyl]chromen-7-olate CAS Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[(3-phenylpropylammonio)methyl]-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[(3-phenylpropylazaniumyl)methyl]chromen-7-olate Traditional Name: 6-chloro-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-8-[(3-phenylpropylammonio)methyl]chromen-7-olate Formula: C23H24ClNO5 MolecularWeight: 429.89336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CCCC3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CCCC3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C23H24ClNO5/c1-14-16-11-19(24)21(27)18(13-25-10-6-9-15-7-4-3-5-8-15)22(16)30-23(28)17(14)12-20(26)29-2/h3-5,7-8,11,25,27H,6,9-10,12-13H2,1-2H3