2-oxidanyl-4-[4-oxidanylidene-3-[8-(trimethylazaniumyl)octoxy]chromen-2-yl]phenolate

Systemtic Name: 2-oxidanyl-4-[4-oxidanylidene-3-[8-(trimethylazaniumyl)octoxy]chromen-2-yl]phenolate Openeye Name: 2-hydroxy-4-[4-oxo-3-[8-(trimethylammonio)octoxy]chromen-2-yl]phenolate CAS Name: 2-hydroxy-4-[4-oxo-3-[8-(trimethylammonio)octoxy]-1-benzopyran-2-yl]phenolate IUPAC Name: 2-hydroxy-4-[4-oxo-3-[8-(trimethylazaniumyl)octoxy]chromen-2-yl]phenolate Traditional Name: 2-hydroxy-4-[4-keto-3-[8-(trimethylammonio)octoxy]chromen-2-yl]phenolate Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)[O-])O

Isomeric SMILES

C[N+](C)(C)CCCCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)[O-])O

InChI

InChI=1S/C26H33NO5/c1-27(2,3)16-10-6-4-5-7-11-17-31-26-24(30)20-12-8-9-13-23(20)32-25(26)19-14-15-21(28)22(29)18-19/h8-9,12-15,18H,4-7,10-11,16-17H2,1-3H3,(H-,28,29,30)