ci 42100

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IUPAC Name :[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium
InChI :InChI=1/C37H35ClN2O6S2/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46)/p+1
Std.InChI: InChI=1S/C37H35ClN2O6S2/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46)/p+1
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InChIKey :KZMRYBLIGYQPPP-IKLDFBCSAM
Std.InChIKey: KZMRYBLIGYQPPP-UHFFFAOYSA-O
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SMILES :O=S(=O)(O)c1cccc(c1)CN(c2ccc(cc2)\C(=C\4/C=C\C(=[N+](\CC)Cc3cccc(c3)S(=O)(=O)O)/C=C/4)c5ccccc5Cl)CC
MDL: MFCD00050440