4-[3,6-bis(diethylamino)-3H-xanthen-9-yl]benzene-1,3-disulfonic acid

Systemtic Name: 4-[3,6-bis(diethylamino)-3H-xanthen-9-yl]benzene-1,3-disulfonic acid Openeye Name: 4-[3,6-bis(diethylamino)-3H-xanthen-9-yl]benzene-1,3-disulfonic acid CAS Name: 4-[3,6-bis(diethylamino)-3H-xanthen-9-yl]benzene-1,3-disulfonic acid IUPAC Name: 4-[3,6-bis(diethylamino)-3H-xanthen-9-yl]benzene-1,3-disulfonic acid Traditional Name: 4-[3,6-bis(diethylamino)-3H-xanthen-9-yl]benzene-1,3-disulfonic acid Formula: C27H32N2O7S2 MolecularWeight: 560.68218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1C=CC2=C(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

CCN(CC)C1C=CC2=C(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/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-18H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35)