3-[[4-[(4-azanyl-7-sulfo-naphthalen-1-yl)diazenyl]-7-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[4-[(4-azanyl-7-sulfo-naphthalen-1-yl)diazenyl]-7-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[[4-[(4-amino-7-sulfo-1-naphthyl)azo]-7-sulfo-1-naphthyl]azo]naphthalene-1,5-disulfonic acid CAS Name: 3-[[4-[(4-amino-7-sulfo-1-naphthalenyl)azo]-7-sulfo-1-naphthalenyl]azo]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[[4-[(4-amino-7-sulfo-1-naphthyl)azo]-7-sulfo-1-naphthyl]azo]naphthalene-1,5-disulfonic acid Formula: C30H21N5O12S4 MolecularWeight: 771.77404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C6C=C(C=CC6=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C6C=C(C=CC6=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H21N5O12S4/c31-25-8-9-27(22-14-17(48(36,37)38)4-6-19(22)25)35-34-26-10-11-28(23-15-18(49(39,40)41)5-7-20(23)26)33-32-16-12-24-21(30(13-16)51(45,46)47)2-1-3-29(24)50(42,43)44/h1-15H,31H2,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)