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

Systemtic Name: 4-[(E)-2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]ethenyl]-1-(6-oxidanyl-6-oxidanylidene-hexyl)pyridin-1-ium-3-sulfonate Openeye Name: 4-[(E)-2-[7-(diethylamino)-2-oxo-chromen-3-yl]vinyl]-1-(6-hydroxy-6-oxo-hexyl)pyridin-1-ium-3-sulfonate CAS Name: 4-[(E)-2-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]ethenyl]-1-(6-hydroxy-6-oxohexyl)-3-pyridin-1-iumsulfonate IUPAC Name: 4-[(E)-2-[7-(diethylamino)-2-oxochromen-3-yl]ethenyl]-1-(6-hydroxy-6-oxohexyl)pyridin-1-ium-3-sulfonate Traditional Name: 4-[(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=C(C=[N+](C=C3)CCCCCC(=O)O)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

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