ci 61570 ci 61570 4403-90-1

ci 61570 ci 61570

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iupac名称 IUPAC Name :disodium;5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate

INCHI InChI :INCHI InChI=1/C28H22N2O8S2.2Na/c1-15-7-9-19(23(13-15)39(33,34)35)29-21-11-12-22(30-20-10-8-16(2)14-24(20)40(36,37)38)26-25(21)27(31)17-5-3-4-6-18(17)28(26)32;;/h3-14,29-30H,1-2 3 1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

印地 Std.InChI: INCHI InChI=1S/C28H22N2O8S2.2Na/c1-15-7-9-19(23(13-15)39(33,34)35)29-21-11-12-22(30-20-10-8-16(2)14-24(20)40(36,37)38)26-25(21)27(31)17-5-3-4-6-18(17)28(26)32;;/h3-14,29-30H,1-2 3 1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

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INCHI基 InChIKey :FPAYXBWMYIMERV-NUQVWONBAV

标准奇奇 Std.InChIKey: FPAYXBWMYIMERV-UHFFFAOYSA-L

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微笑 SMILES :CC1= c =CC(= c =C(c = c C= c =C1)NC2= c =C3C(= c =C(c = c C= c =C2)NC4= c =C(c = c C= c =C(c = c C= c =C4)C)S(= o =O)(= o =O)[o- O-])C(= o =O)C5= c =Cc = c C= c =Cc = c C= c =C5C3= o =O)S(= o =O)(= o =O)[o- O-].[Na+].[Na+]

MDL : mfcd00001193 MFCD00001193