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

Systemtic Name: 4-[6-butan-2-ylimino-3-(diethylamino)-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonic acid Openeye Name: 4-[3-(diethylamino)-6-sec-butylimino-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonic acid CAS Name: 4-[6-butan-2-ylimino-3-(diethylamino)-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonic acid IUPAC Name: 4-[6-butan-2-ylimino-3-(diethylamino)-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonic acid Traditional Name: 4-[3-(diethylamino)-6-sec-butylimino-8a,9-dihydroxanthen-9-yl]benzene-1,3-disulfonic acid Formula: C27H32N2O7S2 MolecularWeight: 560.68218

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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

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

InChI

InChI=1S/C27H32N2O7S2/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)