5-[[2-methoxy-5-[4-methoxy-3-[(4-phenylazanyl-5-sulfo-naphthalen-1-yl)diazenyl]phenyl]sulfonylsulfanyl-phenyl]diazenyl]-8-phenylazanyl-naphthalene-1-sulfonic acid

Systemtic Name: 5-[[2-methoxy-5-[4-methoxy-3-[(4-phenylazanyl-5-sulfo-naphthalen-1-yl)diazenyl]phenyl]sulfonylsulfanyl-phenyl]diazenyl]-8-phenylazanyl-naphthalene-1-sulfonic acid Openeye Name: 8-anilino-5-[5-[3-[(4-anilino-5-sulfo-1-naphthyl)azo]-4-methoxy-phenyl]sulfonylsulfanyl-2-methoxy-phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 8-anilino-5-[5-[[3-[(4-anilino-5-sulfo-1-naphthalenyl)azo]-4-methoxyphenyl]sulfonylthio]-2-methoxyphenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 8-anilino-5-[[5-[3-[(4-anilino-5-sulfonaphthalen-1-yl)diazenyl]-4-methoxyphenyl]sulfonylsulfanyl-2-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 8-anilino-5-[5-[[3-[(4-anilino-5-sulfo-1-naphthyl)azo]-4-methoxy-phenyl]sulfonylthio]-2-methoxy-phenyl]azo-naphthalene-1-sulfonic acid Formula: C46H36N6O10S4 MolecularWeight: 961.07224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SS(=O)(=O)C2=CC(=C(C=C2)OC)N=NC3=C4C=CC=C(C4=C(C=C3)NC5=CC=CC=C5)S(=O)(=O)O)N=NC6=C7C=CC=C(C7=C(C=C6)NC8=CC=CC=C8)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)SS(=O)(=O)C2=CC(=C(C=C2)OC)N=NC3=C4C=CC=C(C4=C(C=C3)NC5=CC=CC=C5)S(=O)(=O)O)N=NC6=C7C=CC=C(C7=C(C=C6)NC8=CC=CC=C8)S(=O)(=O)O

InChI

InChI=1S/C46H36N6O10S4/c1-61-41-25-19-31(27-39(41)51-49-35-21-23-37(47-29-11-5-3-6-12-29)45-33(35)15-9-17-43(45)64(53,54)55)63-66(59,60)32-20-26-42(62-2)40(28-32)52-50-36-22-24-38(48-30-13-7-4-8-14-30)46-34(36)16-10-18-44(46)65(56,57)58/h3-28,47-48H,1-2H3,(H,53,54,55)(H,56,57,58)