1-[(E)-2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]ethenyl]quinolin-1-ium-6-sulfonic acid

Systemtic Name: 1-[(E)-2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]ethenyl]quinolin-1-ium-6-sulfonic acid Openeye Name: 1-[(E)-2-[7-(diethylamino)-2-oxo-chromen-3-yl]vinyl]quinolin-1-ium-6-sulfonic acid CAS Name: 1-[(E)-2-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]ethenyl]-6-quinolin-1-iumsulfonic acid IUPAC Name: 1-[(E)-2-[7-(diethylamino)-2-oxochromen-3-yl]ethenyl]quinolin-1-ium-6-sulfonic acid Traditional Name: 1-[(E)-2-[7-(diethylamino)-2-keto-chromen-3-yl]vinyl]quinolin-1-ium-6-sulfonic acid Formula: C24H23N2O5S+ MolecularWeight: 451.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C=C[N+]3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)/C=C/[N+]3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C24H22N2O5S/c1-3-25(4-2)20-8-7-18-14-19(24(27)31-23(18)16-20)11-13-26-12-5-6-17-15-21(32(28,29)30)9-10-22(17)26/h5-16H,3-4H2,1-2H3/p+1/b13-11+