6-[(E)-2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]ethenyl]-1-(6-oxidanyl-6-oxidanylidene-hexyl)pyridin-1-ium-3-sulfonate

Systemtic Name: 6-[(E)-2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]ethenyl]-1-(6-oxidanyl-6-oxidanylidene-hexyl)pyridin-1-ium-3-sulfonate Openeye Name: 6-[(E)-2-[7-(diethylamino)-2-oxo-chromen-3-yl]vinyl]-1-(6-hydroxy-6-oxo-hexyl)pyridin-1-ium-3-sulfonate CAS Name: 6-[(E)-2-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]ethenyl]-1-(6-hydroxy-6-oxohexyl)-3-pyridin-1-iumsulfonate IUPAC Name: 6-[(E)-2-[7-(diethylamino)-2-oxochromen-3-yl]ethenyl]-1-(6-hydroxy-6-oxohexyl)pyridin-1-ium-3-sulfonate Traditional Name: 6-[(E)-2-[7-(diethylamino)-2-keto-chromen-3-yl]vinyl]-1-(6-hydroxy-6-keto-hexyl)pyridin-1-ium-3-sulfonate Formula: C26H30N2O7S MolecularWeight: 514.5906

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C=CC3=[N+](C=C(C=C3)S(=O)(=O)[O-])CCCCCC(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)/C=C/C3=[N+](C=C(C=C3)S(=O)(=O)[O-])CCCCCC(=O)O

InChI

InChI=1S/C26H30N2O7S/c1-3-27(4-2)22-12-9-19-16-20(26(31)35-24(19)17-22)10-11-21-13-14-23(36(32,33)34)18-28(21)15-7-5-6-8-25(29)30/h9-14,16-18H,3-8,15H2,1-2H3,(H-,29,30,32,33,34)