2-oxidanyl-4-[4-oxidanylidene-3-[6-(trimethylazaniumyl)hexoxy]chromen-2-yl]phenolate

Systemtic Name: 2-oxidanyl-4-[4-oxidanylidene-3-[6-(trimethylazaniumyl)hexoxy]chromen-2-yl]phenolate Openeye Name: 2-hydroxy-4-[4-oxo-3-[6-(trimethylammonio)hexoxy]chromen-2-yl]phenolate CAS Name: 2-hydroxy-4-[4-oxo-3-[6-(trimethylammonio)hexoxy]-1-benzopyran-2-yl]phenolate IUPAC Name: 2-hydroxy-4-[4-oxo-3-[6-(trimethylazaniumyl)hexoxy]chromen-2-yl]phenolate Traditional Name: 2-hydroxy-4-[4-keto-3-[6-(trimethylammonio)hexoxy]chromen-2-yl]phenolate Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)[O-])O

Isomeric SMILES

C[N+](C)(C)CCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)[O-])O

InChI

InChI=1S/C24H29NO5/c1-25(2,3)14-8-4-5-9-15-29-24-22(28)18-10-6-7-11-21(18)30-23(24)17-12-13-19(26)20(27)16-17/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3,(H-,26,27,28)