4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-2-[[3-[[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]-(2-sulfanylethyl)amino]propanoylamino]methyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-2-[[3-[[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]-(2-sulfanylethyl)amino]propanoylamino]methyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-2-[[3-[[2-oxo-2-(2-sulfanylethylamino)ethyl]-(2-sulfanylethyl)amino]propanoylamino]methyl]phenyl]phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthalenyl)azo]-2-[[[3-[2-mercaptoethyl-[2-(2-mercaptoethylamino)-2-oxoethyl]amino]-1-oxopropyl]amino]methyl]phenyl]phenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-[[3-[[2-oxo-2-(2-sulfanylethylamino)ethyl]-(2-sulfanylethyl)amino]propanoylamino]methyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-2-[[3-[[2-keto-2-(2-mercaptoethylamino)ethyl]-(2-mercaptoethyl)amino]propanoylamino]methyl]phenyl]phenyl]azo-naphthalene-1-sulfonic acid Formula: C42H43N9O8S4 MolecularWeight: 930.10632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N)CNC(=O)CCN(CCS)CC(=O)NCCS)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N)CNC(=O)CCN(CCS)CC(=O)NCCS)S(=O)(=O)O

InChI

InChI=1S/C42H43N9O8S4/c43-41-33-7-3-1-5-31(33)37(62(54,55)56)22-35(41)49-47-28-11-9-26(10-12-28)30-14-13-29(48-50-36-23-38(63(57,58)59)32-6-2-4-8-34(32)42(36)44)21-27(30)24-46-39(52)15-17-51(18-20-61)25-40(53)45-16-19-60/h1-14,21-23,60-61H,15-20,24-25,43-44H2,(H,45,53)(H,46,52)(H,54,55,56)(H,57,58,59)