sodium; 2-[3-sulfo-4-[(E)-2-[2-sulfo-4-[2-[3-sulfo-4-[(E)-2-[2-sulfo-4-(5-sulfo-1,3-dihydrobenzotriazol-2-yl)phenyl]ethenyl]phenyl]hydrazinyl]phenyl]ethenyl]phenyl]benzotriazole-5-sulfonic acid

Systemtic Name: sodium; 2-[3-sulfo-4-[(E)-2-[2-sulfo-4-[2-[3-sulfo-4-[(E)-2-[2-sulfo-4-(5-sulfo-1,3-dihydrobenzotriazol-2-yl)phenyl]ethenyl]phenyl]hydrazinyl]phenyl]ethenyl]phenyl]benzotriazole-5-sulfonic acid Openeye Name: sodium; 2-[3-sulfo-4-[(E)-2-[2-sulfo-4-[2-[3-sulfo-4-[(E)-2-[2-sulfo-4-(5-sulfo-1,3-dihydrobenzotriazol-2-yl)phenyl]vinyl]phenyl]hydrazino]phenyl]vinyl]phenyl]benzotriazole-5-sulfonic acid CAS Name: sodium; 2-[3-sulfo-4-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-(5-sulfo-1,3-dihydrobenzotriazol-2-yl)phenyl]ethenyl]phenyl]hydrazo]phenyl]ethenyl]phenyl]-5-benzotriazolesulfonic acid IUPAC Name: sodium; 2-[3-sulfo-4-[(E)-2-[2-sulfo-4-[2-[3-sulfo-4-[(E)-2-[2-sulfo-4-(5-sulfo-1,3-dihydrobenzotriazol-2-yl)phenyl]ethenyl]phenyl]hydrazinyl]phenyl]ethenyl]phenyl]benzotriazole-5-sulfonic acid Traditional Name: sodium; 2-[3-sulfo-4-[(E)-2-[2-sulfo-4-[N'-[3-sulfo-4-[(E)-2-[2-sulfo-4-(5-sulfo-1,3-dihydrobenzotriazol-2-yl)phenyl]vinyl]phenyl]hydrazino]phenyl]vinyl]phenyl]benzotriazole-5-sulfonic acid Formula: C40H32N8NaO18S6 MolecularWeight: 1128.10465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NNC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N4N=C5C=CC(=CC5=N4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=CC6=C(C=C(C=C6)N7NC8=C(N7)C=C(C=C8)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=C(C=C1NNC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N4N=C5C=CC(=CC5=N4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)/C=C/C6=C(C=C(C=C6)N7NC8=C(N7)C=C(C=C8)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C40H32N8O18S6.Na/c49-67(50,51)31-13-15-33-35(21-31)45-47(43-33)29-11-7-25(39(19-29)71(61,62)63)3-1-23-5-9-27(17-37(23)69(55,56)57)41-42-28-10-6-24(38(18-28)70(58,59)60)2-4-26-8-12-30(20-40(26)72(64,65)66)48-44-34-16-14-32(68(52,53)54)22-36(34)46-48;/h1-22,41-43,45H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);/b3-1+,4-2+;