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BENZOPURPURIN 10B

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Name: BENZOPURPURIN 10B
CAS: 2868-75-9
Synonyms: BENZOPURPURIN 10B ; DIRECT RED 7
MDL.: MFCD00054276
H bond acceptor: 14
H bond donor: 2
Smile: COc1cc(ccc1/N=N/c2cc(c3ccccc3c2N)S(=O)(=O)[O-])c4ccc(c(c4)OC)/N=N/c5cc(c6ccccc6c5N)S(=O)(=O)[O-].[Na+].[Na+]
InChi: InChI=1S/C34H28N6O8S2.2Na/c1-47-29-15-19(11-13-25(29)37-39-27-17-31(49(41,42)43)21-7-3-5-9-23(21)33(27)35)20-12-14-26(30(16-20)48-2)38-40-28-18-32(50(44,45)46)22-8-4-6-10-24(22)34(28)36;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b39-37+,40-38+;;
InChiKey: InChIKey=XVJNOIOHMFFFIP-DVDDBBOFSA-L

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