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

85631-79-4

CAS Name

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

Molecular Formula

C₅₆H₄₄Cl₂N₁₄O₂₆S₈.8Na

Other Names and Identifiers

InChI

InChI=1S/C56H44Cl2N14O26S8.8Na/c1-25-11-41(43(97-3)23-39(25)71-69-31-13-35-37(47(17-31)103(85,86)87)19-33(99(73,74)75)21-49(35)105(91,92)93)61-55-65-51(57)63-53(67-55)59-29-9-7-27(45(15-29)101(79,80)81)5-6-28-8-10-30(16-46(28)102(82,83)84)60-54-64-52(58)66-56(68-54)62-42-12-26(2)40(24-44(42)98-4)72-70-32-14-36-38(48(18-32)104(88,89)90)20-34(100(76,77)78)22-50(36)106(94,95)96;;;;;;;;/h5-24H,1-4H3,(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,59,61,63,65,67)(H2,60,62,64,66,68);;;;;;;;

InChIKey

InChIKey=ARBHIASIGGCLNG-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C(S(=O)(=O)O)=CC(N=NC3=CC(OC)=C(NC=4N=C(NC5=CC(S(=O)(=O)O)=C(C=CC6=C(S(=O)(=O)O)C=C(NC=7N=C(NC8=C(OC)C=C(N=NC9=CC%10=C(C(S(=O)(=O)O)=C9)C=C(S(=O)(=O)O)C=C%10S(=O)(=O)O)C(C)=C8)N=C(Cl)N7)C=C6)C=C5)N=C(Cl)N4)C=C3C)=C2)C=C(S(=O)(=O)O)C1.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=2C(=CC(N=NC=3C=C(OC)C(=CC3C)NC=4N=C(Cl)N=C(N4)NC5=CC=C(C=CC6=CC=C(C=C6S(=O)(=O)O)NC7=NC(Cl)=NC(=N7)NC8=CC(=C(N=NC=9C=C%10C(C=C(C=C%10S(=O)(=O)O)S(=O)(=O)O)=C(C9)S(=O)(=O)O)C=C8OC)C)C(=C5)S(=O)(=O)O)=CC2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Other Names for this Substance