(Z)-2-[4-[bis(carboxymethyl)amino]-2-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2-oxidanyl-ethenediazonium

Systemtic Name: (Z)-2-[4-[bis(carboxymethyl)amino]-2-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2-oxidanyl-ethenediazonium Openeye Name: (Z)-2-[4-[bis(carboxymethyl)amino]-2-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2-hydroxy-ethenediazonium CAS Name: (Z)-2-[4-[bis(carboxymethyl)amino]-2-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-2-hydroxyethenediazonium IUPAC Name: (Z)-2-[4-[bis(carboxymethyl)amino]-2-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-2-hydroxyethenediazonium Traditional Name: (Z)-2-[4-[bis(carboxymethyl)amino]-2-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2-hydroxy-ethenediazonium Formula: C25H27N4O11+ MolecularWeight: 559.50208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)N(CC(=O)O)CC(=O)O)C(=C[N+]#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)N(CC(=O)O)CC(=O)O)/C(=C/[N+]#N)/O

InChI

InChI=1S/C25H26N4O11/c1-15-2-5-18(29(13-24(35)36)14-25(37)38)21(8-15)40-7-6-39-20-9-16(3-4-17(20)19(30)10-27-26)28(11-22(31)32)12-23(33)34/h2-5,8-10H,6-7,11-14H2,1H3,(H4-,30,31,32,33,34,35,36,37,38)/p+1/b19-10-