ethyl 4-[8-(azocan-1-ium-1-ylmethyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-(azocan-1-ium-1-ylmethyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-(azocan-1-ium-1-ylmethyl)-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-(1-azocan-1-iumylmethyl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-(azocan-1-ium-1-ylmethyl)-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-(azocan-1-ium-1-ylmethyl)-7-hydroxy-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C27H32NO6+ MolecularWeight: 466.54608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCCC4)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCCC4)O)C

InChI

InChI=1S/C27H31NO6/c1-3-32-27(31)19-9-11-20(12-10-19)34-25-18(2)33-26-21(24(25)30)13-14-23(29)22(26)17-28-15-7-5-4-6-8-16-28/h9-14,29H,3-8,15-17H2,1-2H3/p+1