3-[[4-[(4-azanyl-5-methyl-naphthalen-1-yl)diazenyl]-6-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[4-[(4-azanyl-5-methyl-naphthalen-1-yl)diazenyl]-6-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[[4-[(4-amino-5-methyl-1-naphthyl)azo]-6-sulfo-1-naphthyl]azo]naphthalene-1,5-disulfonic acid CAS Name: 3-[[4-[(4-amino-5-methyl-1-naphthalenyl)azo]-6-sulfo-1-naphthalenyl]azo]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[(4-amino-5-methylnaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[[4-[(4-amino-5-methyl-1-naphthyl)azo]-6-sulfo-1-naphthyl]azo]naphthalene-1,5-disulfonic acid Formula: C31H23N5O9S3 MolecularWeight: 705.73742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=CC(=C12)N)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC2=C(C=CC(=C12)N)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C31H23N5O9S3/c1-17-4-2-6-22-27(11-10-25(32)31(17)22)35-36-28-13-12-26(20-9-8-19(16-23(20)28)46(37,38)39)34-33-18-14-24-21(30(15-18)48(43,44)45)5-3-7-29(24)47(40,41)42/h2-16H,32H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)