sodium 4-[6-butan-2-ylimino-3-(diethylamino)-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonate

Systemtic Name: sodium 4-[6-butan-2-ylimino-3-(diethylamino)-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonate Openeye Name: sodium 4-[3-(diethylamino)-6-sec-butylimino-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonate CAS Name: sodium 4-[6-butan-2-ylimino-3-(diethylamino)-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonate IUPAC Name: sodium 4-[6-butan-2-ylimino-3-(diethylamino)-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonate Traditional Name: sodium 4-[3-(diethylamino)-6-sec-butylimino-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonate Formula: C27H30N2NaO7S2- MolecularWeight: 581.65607

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C1C=CC2C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)N=C1C=CC2C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H32N2O7S2.Na/c1-5-17(4)28-18-8-11-21-24(14-18)36-25-15-19(29(6-2)7-3)9-12-22(25)27(21)23-13-10-20(37(30,31)32)16-26(23)38(33,34)35;/h8-17,21,27H,5-7H2,1-4H3,(H,30,31,32)(H,33,34,35);/q;+1/p-2