1,3,6-Naphthalenetrisulfonic acid, 7,7′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis-

Other Names and Identifiers

InChI

InChI=1S/C54H40Cl2N18O26S8/c55-47-65-51(59-27-7-9-35(37(15-27)63-49(57)75)71-73-39-21-33-25(13-45(39)107(95,96)97)11-31(101(77,78)79)19-43(33)105(89,90)91)69-53(67-47)61-29-5-3-23(41(17-29)103(83,84)85)1-2-24-4-6-30(18-42(24)104(86,87)88)62-54-68-48(56)66-52(70-54)60-28-8-10-36(38(16-28)64-50(58)76)72-74-40-22-34-26(14-46(40)108(98,99)100)12-32(102(80,81)82)20-44(34)106(92,93)94/h1-22H,(H3,57,63,75)(H3,58,64,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H2,59,61,65,67,69)(H2,60,62,66,68,70)

InChIKey

InChIKey=JVHQMRKDOHWFRC-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(NC(N)=O)C=C(NC=4N=C(NC5=CC(S(=O)(=O)O)=C(C=CC6=C(S(=O)(=O)O)C=C(NC=7N=C(NC8=CC(NC(N)=O)=C(N=NC=9C(S(=O)(=O)O)=CC%10=C(C9)C(S(=O)(=O)O)=CC(S(=O)(=O)O)=C%10)C=C8)N=C(Cl)N7)C=C6)C=C5)N=C(Cl)N4)C=C3)=C2)C=C(S(=O)(=O)O)C1

Canonical SMILES

O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)=CC2S(=O)(=O)O)NC4=NC(Cl)=NC(=N4)NC5=CC=C(C=CC6=CC=C(C=C6S(=O)(=O)O)NC=7N=C(Cl)N=C(N7)NC8=CC=C(N=NC=9C=C%10C(C=C(C=C%10S(=O)(=O)O)S(=O)(=O)O)=CC9S(=O)(=O)O)C(=C8)NC(=O)N)C(=C5)S(=O)(=O)O

Other Names for this Substance