2-[[4-azanyl-2-methyl-3-[(7-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]naphthalene-1,7-disulfonic acid

Systemtic Name: 2-[[4-azanyl-2-methyl-3-[(7-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]naphthalene-1,7-disulfonic acid Openeye Name: 2-[4-amino-2-methyl-3-[(7-sulfo-1-naphthyl)azo]phenyl]azonaphthalene-1,7-disulfonic acid CAS Name: 2-[4-amino-2-methyl-3-[(7-sulfo-1-naphthalenyl)azo]phenyl]azonaphthalene-1,7-disulfonic acid IUPAC Name: 2-[[4-amino-2-methyl-3-[(7-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]naphthalene-1,7-disulfonic acid Traditional Name: 2-[4-amino-2-methyl-3-[(7-sulfo-1-naphthyl)azo]phenyl]azonaphthalene-1,7-disulfonic acid Formula: C27H21N5O9S3 MolecularWeight: 655.67874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N=NC2=CC=CC3=C2C=C(C=C3)S(=O)(=O)O)N)N=NC4=C(C5=C(C=CC(=C5)S(=O)(=O)O)C=C4)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1N=NC2=CC=CC3=C2C=C(C=C3)S(=O)(=O)O)N)N=NC4=C(C5=C(C=CC(=C5)S(=O)(=O)O)C=C4)S(=O)(=O)O

InChI

InChI=1S/C27H21N5O9S3/c1-15-23(29-31-25-11-7-17-6-9-19(43(36,37)38)14-21(17)27(25)44(39,40)41)12-10-22(28)26(15)32-30-24-4-2-3-16-5-8-18(13-20(16)24)42(33,34)35/h2-14H,28H2,1H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)