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

Systemtic Name: 4-[3-(diethylamino)-6-pentan-3-ylidene-xanthen-9-yl]benzene-1,3-disulfonic acid Openeye Name: 4-[3-(diethylamino)-6-(1-ethylpropylidene)xanthen-9-yl]benzene-1,3-disulfonic acid CAS Name: 4-[3-(diethylamino)-6-pentan-3-ylidene-9-xanthenyl]benzene-1,3-disulfonic acid IUPAC Name: 4-[3-(diethylamino)-6-pentan-3-ylidenexanthen-9-yl]benzene-1,3-disulfonic acid Traditional Name: 4-[3-(diethylamino)-6-(1-ethylpropylidene)xanthen-9-yl]benzene-1,3-disulfonic acid Formula: C28H31NO7S2 MolecularWeight: 557.67824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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)CC

Isomeric SMILES

CCC(=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)CC

InChI

InChI=1S/C28H31NO7S2/c1-5-18(6-2)19-9-12-22-25(15-19)36-26-16-20(29(7-3)8-4)10-13-23(26)28(22)24-14-11-21(37(30,31)32)17-27(24)38(33,34)35/h9-17H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35)