fd＆amp; c紫罗兰色1（约42640） fd&c violet no. 1 (c.i. 42640) 1694-09-3

fd＆amp; c紫罗兰色1（约42640） fd&c violet no. 1 (c.i. 42640)

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iupac名称 IUPAC Name :sodium 3-[[4-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonat

INCHI InChI :INCHI InChI=1/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(h- H-,43,44,45,46,47,48);/q;+1

印地 Std.InChI: INCHI InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(h- H-,43,44,45,46,47,48);/q;+1

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INCHI基 InChIKey :AXMCIYLNKNGNOT-UHFFFAOYAF

标准奇奇 Std.InChIKey: AXMCIYLNKNGNOT-UHFFFAOYSA-N

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微笑 SMILES :ccn cc CCN(cc CC1=cc CC(=cc CC=C1)S(= o =O)(= o =O)O)C2=cc CC=C(C=C2)C(=C3C=cc CC(=[N+](C)C)C=C3)C4=cc CC=C(C=C4)N(cc CC)cc CC5=cc CC(=cc CC=C5)S(= o =O)(= o =O)[o- O-].[Na+]