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

Systemtic Name: 6-[4-[(E)-2-[7-(diethylamino)-2-oxidanyl-4-oxidanylidene-chromen-3-yl]ethenyl]-3-sulfo-pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 6-[4-[(E)-2-[7-(diethylamino)-2-hydroxy-4-oxo-chromen-3-yl]vinyl]-3-sulfo-pyridin-1-ium-1-yl]hexanoic acid CAS Name: 6-[4-[(E)-2-[7-(diethylamino)-2-hydroxy-4-oxo-1-benzopyran-3-yl]ethenyl]-3-sulfo-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 6-[4-[(E)-2-[7-(diethylamino)-2-hydroxy-4-oxochromen-3-yl]ethenyl]-3-sulfopyridin-1-ium-1-yl]hexanoic acid Traditional Name: 6-[4-[(E)-2-[7-(diethylamino)-2-hydroxy-4-keto-chromen-3-yl]vinyl]-3-sulfo-pyridin-1-ium-1-yl]hexanoic acid Formula: C26H31N2O8S+ MolecularWeight: 531.59794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O8S/c1-3-28(4-2)19-10-12-20-22(16-19)36-26(32)21(25(20)31)11-9-18-13-15-27(17-23(18)37(33,34)35)14-7-5-6-8-24(29)30/h9-13,15-17H,3-8,14H2,1-2H3,(H2,29,30,33,34,35)/p+1