4-azanyl-3-[[4-[2-[4-[(1-azanyl-4,8-disulfo-naphthalen-2-yl)diazenyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]diazenyl]naphthalene-1,5-disulfonic acid; sodium

Systemtic Name: 4-azanyl-3-[[4-[2-[4-[(1-azanyl-4,8-disulfo-naphthalen-2-yl)diazenyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]diazenyl]naphthalene-1,5-disulfonic acid; sodium Openeye Name: 4-amino-3-[4-[2-[4-[(1-amino-4,8-disulfo-2-naphthyl)azo]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]azo-naphthalene-1,5-disulfonic acid; sodium CAS Name: 4-amino-3-[4-[2-[4-[(1-amino-4,8-disulfo-2-naphthalenyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azonaphthalene-1,5-disulfonic acid; sodium IUPAC Name: 4-amino-3-[[4-[2-[4-[(1-amino-4,8-disulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1,5-disulfonic acid; sodium Traditional Name: 4-amino-3-[4-[2-[4-[(1-amino-4,8-disulfo-2-naphthyl)azo]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]azo-naphthalene-1,5-disulfonic acid; sodium Formula: C34H26N6NaO18S6 MolecularWeight: 1021.97941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C(=C2C(=C1)S(=O)(=O)O)N)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=CC(=C6C=CC=C(C6=C5N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC2=C(C=C(C(=C2C(=C1)S(=O)(=O)O)N)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=CC(=C6C=CC=C(C6=C5N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C34H26N6O18S6.Na/c35-33-23(15-29(63(53,54)55)21-3-1-5-25(31(21)33)59(41,42)43)39-37-19-11-9-17(27(13-19)61(47,48)49)7-8-18-10-12-20(14-28(18)62(50,51)52)38-40-24-16-30(64(56,57)58)22-4-2-6-26(60(44,45)46)32(22)34(24)36;/h1-16H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);