2-[[(7E)-1-azanyl-7-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-3-methyl-8-oxidanylidene-6-sulfo-naphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[[(7E)-1-azanyl-7-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-3-methyl-8-oxidanylidene-6-sulfo-naphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 2-[[(7E)-1-amino-7-[(5-amino-2-sulfo-phenyl)hydrazono]-3-methyl-8-oxo-6-sulfo-2-naphthyl]azo]naphthalene-1,5-disulfonic acid CAS Name: 2-[[(7E)-1-amino-7-[(5-amino-2-sulfophenyl)hydrazinylidene]-3-methyl-8-oxo-6-sulfo-2-naphthalenyl]azo]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[[(7E)-1-amino-7-[(5-amino-2-sulfophenyl)hydrazinylidene]-3-methyl-8-oxo-6-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 2-[[(7E)-1-amino-7-[(5-amino-2-sulfo-phenyl)hydrazono]-8-keto-3-methyl-6-sulfo-2-naphthyl]azo]naphthalene-1,5-disulfonic acid Formula: C27H22N6O13S4 MolecularWeight: 766.75598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C=C(C(=NNC3=C(C=CC(=C3)N)S(=O)(=O)O)C2=O)S(=O)(=O)O)N)N=NC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C=C(/C(=N/NC3=C(C=CC(=C3)N)S(=O)(=O)O)/C2=O)S(=O)(=O)O)N)N=NC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H22N6O13S4/c1-12-9-13-10-21(49(41,42)43)25(33-31-18-11-14(28)5-8-20(18)48(38,39)40)26(34)22(13)23(29)24(12)32-30-17-7-6-15-16(27(17)50(44,45)46)3-2-4-19(15)47(35,36)37/h2-11,31H,28-29H2,1H3,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)/b32-30?,33-25-