1-[[4-(diethylamino)pyridin-1-ium-1-yl]-(4,4-dipropylpyridin-1-ium-1-ylidene)methyl]naphthalene-2,7-disulfonate

Systemtic Name: 1-[[4-(diethylamino)pyridin-1-ium-1-yl]-(4,4-dipropylpyridin-1-ium-1-ylidene)methyl]naphthalene-2,7-disulfonate Openeye Name: 1-[[4-(diethylamino)pyridin-1-ium-1-yl]-(4,4-dipropylpyridin-1-ium-1-ylidene)methyl]naphthalene-2,7-disulfonate CAS Name: 1-[[4-(diethylamino)-1-pyridin-1-iumyl]-(4,4-dipropyl-1-pyridin-1-iumylidene)methyl]naphthalene-2,7-disulfonate IUPAC Name: 1-[[4-(diethylamino)pyridin-1-ium-1-yl]-(4,4-dipropylpyridin-1-ium-1-ylidene)methyl]naphthalene-2,7-disulfonate Traditional Name: 1-[[4-(diethylamino)pyridin-1-ium-1-yl]-(4,4-dipropylpyridin-1-ium-1-ylidene)methyl]naphthalene-2,7-disulfonate Formula: C31H37N3O6S2 MolecularWeight: 611.77198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C=C[N+](=C(C2=C(C=CC3=C2C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+]4=CC=C(C=C4)N(CC)CC)C=C1)CCC

Isomeric SMILES

CCCC1(C=C[N+](=C(C2=C(C=CC3=C2C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+]4=CC=C(C=C4)N(CC)CC)C=C1)CCC

InChI

InChI=1S/C31H37N3O6S2/c1-5-15-31(16-6-2)17-21-34(22-18-31)30(33-19-13-25(14-20-33)32(7-3)8-4)29-27-23-26(41(35,36)37)11-9-24(27)10-12-28(29)42(38,39)40/h9-14,17-23H,5-8,15-16H2,1-4H3