2-[2-[[5-azanylidene-3-methyl-1-(8-sulfonaphthalen-2-yl)-4H-pyrazol-4-yl]diazenyl]-5-[4-[[5-azanylidene-3-methyl-1-(8-sulfonaphthalen-2-yl)-4H-pyrazol-4-yl]diazenyl]-3-(carboxymethyloxy)phenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[[5-azanylidene-3-methyl-1-(8-sulfonaphthalen-2-yl)-4H-pyrazol-4-yl]diazenyl]-5-[4-[[5-azanylidene-3-methyl-1-(8-sulfonaphthalen-2-yl)-4H-pyrazol-4-yl]diazenyl]-3-(carboxymethyloxy)phenyl]phenoxy]ethanoic acid Openeye Name: 2-[5-[3-(carboxymethyloxy)-4-[[5-imino-3-methyl-1-(8-sulfo-2-naphthyl)-4H-pyrazol-4-yl]azo]phenyl]-2-[[5-imino-3-methyl-1-(8-sulfo-2-naphthyl)-4H-pyrazol-4-yl]azo]phenoxy]acetic acid CAS Name: 2-[5-[3-(carboxymethyloxy)-4-[[5-imino-3-methyl-1-(8-sulfo-2-naphthalenyl)-4H-pyrazol-4-yl]azo]phenyl]-2-[[5-imino-3-methyl-1-(8-sulfo-2-naphthalenyl)-4H-pyrazol-4-yl]azo]phenoxy]acetic acid IUPAC Name: 2-[5-[3-(carboxymethyloxy)-4-[[5-imino-3-methyl-1-(8-sulfonaphthalen-2-yl)-4H-pyrazol-4-yl]diazenyl]phenyl]-2-[[5-imino-3-methyl-1-(8-sulfonaphthalen-2-yl)-4H-pyrazol-4-yl]diazenyl]phenoxy]acetic acid Traditional Name: 2-[5-[3-(carboxymethyloxy)-4-[[5-imino-3-methyl-1-(8-sulfo-2-naphthyl)-2-pyrazolin-4-yl]azo]phenyl]-2-[[5-imino-3-methyl-1-(8-sulfo-2-naphthyl)-2-pyrazolin-4-yl]azo]phenoxy]acetic acid Formula: C44H36N10O12S2 MolecularWeight: 960.94644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4C(=NN(C4=N)C5=CC6=C(C=CC=C6S(=O)(=O)O)C=C5)C)OCC(=O)O)OCC(=O)O)C7=CC8=C(C=CC=C8S(=O)(=O)O)C=C7

Isomeric SMILES

CC1=NN(C(=N)C1N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4C(=NN(C4=N)C5=CC6=C(C=CC=C6S(=O)(=O)O)C=C5)C)OCC(=O)O)OCC(=O)O)C7=CC8=C(C=CC=C8S(=O)(=O)O)C=C7

InChI

InChI=1S/C44H36N10O12S2/c1-23-41(43(45)53(51-23)29-13-9-25-5-3-7-37(31(25)19-29)67(59,60)61)49-47-33-15-11-27(17-35(33)65-21-39(55)56)28-12-16-34(36(18-28)66-22-40(57)58)48-50-42-24(2)52-54(44(42)46)30-14-10-26-6-4-8-38(32(26)20-30)68(62,63)64/h3-20,41-42,45-46H,21-22H2,1-2H3,(H,55,56)(H,57,58)(H,59,60,61)(H,62,63,64)