5-acetamido-3-[[4-[4-[(8-acetamido-3,6-disulfo-naphthalen-2-yl)diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]naphthalene-2,7-disulfonic acid

Systemtic Name: 5-acetamido-3-[[4-[4-[(8-acetamido-3,6-disulfo-naphthalen-2-yl)diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]naphthalene-2,7-disulfonic acid Openeye Name: 5-acetamido-3-[4-[4-[(8-acetamido-3,6-disulfo-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-naphthalene-2,7-disulfonic acid CAS Name: 5-acetamido-3-[4-[4-[(8-acetamido-3,6-disulfo-2-naphthalenyl)azo]-3-methoxyphenyl]-2-methoxyphenyl]azonaphthalene-2,7-disulfonic acid IUPAC Name: 5-acetamido-3-[[4-[4-[(8-acetamido-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonic acid Traditional Name: 5-acetamido-3-[4-[4-[(8-acetamido-3,6-disulfo-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-naphthalene-2,7-disulfonic acid Formula: C38H32N6O16S4 MolecularWeight: 956.95128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC2=CC(=C(C=C21)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=C6C=C(C=C(C6=C5)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)OC)OC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC2=CC(=C(C=C21)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=C6C=C(C=C(C6=C5)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)OC)OC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C38H32N6O16S4/c1-19(45)39-31-15-25(61(47,48)49)9-23-13-37(63(53,54)55)33(17-27(23)31)43-41-29-7-5-21(11-35(29)59-3)22-6-8-30(36(12-22)60-4)42-44-34-18-28-24(14-38(34)64(56,57)58)10-26(62(50,51)52)16-32(28)40-20(2)46/h5-18H,1-4H3,(H,39,45)(H,40,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)