3-azanyl-4-[[4-[(E)-2-[4-[(2-azanyl-3,6-disulfo-naphthalen-1-yl)diazenyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]diazenyl]naphthalene-2,6-disulfonic acid

Systemtic Name: 3-azanyl-4-[[4-[(E)-2-[4-[(2-azanyl-3,6-disulfo-naphthalen-1-yl)diazenyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]diazenyl]naphthalene-2,6-disulfonic acid Openeye Name: 3-amino-4-[4-[(E)-2-[4-[(2-amino-3,6-disulfo-1-naphthyl)azo]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]azo-naphthalene-2,6-disulfonic acid CAS Name: 3-amino-4-[4-[(E)-2-[4-[(2-amino-3,6-disulfo-1-naphthalenyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azonaphthalene-2,6-disulfonic acid IUPAC Name: 3-amino-4-[[4-[(E)-2-[4-[(2-amino-3,6-disulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2,6-disulfonic acid Traditional Name: 3-amino-4-[4-[(E)-2-[4-[(2-amino-3,6-disulfo-1-naphthyl)azo]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]azo-naphthalene-2,6-disulfonic acid Formula: C34H26N6O18S6 MolecularWeight: 998.98964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C(=C(C=C21)S(=O)(=O)O)N)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C(=C(C=C21)S(=O)(=O)O)N)N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C34H26N6O18S6/c35-31-30(64(56,57)58)13-20-11-23(59(41,42)43)9-10-25(20)33(31)39-37-21-6-3-17(27(14-21)61(47,48)49)1-2-18-4-7-22(15-28(18)62(50,51)52)38-40-34-26-16-24(60(44,45)46)8-5-19(26)12-29(32(34)36)63(53,54)55/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)/b2-1+,39-37?,40-38?