8-methyl-5-[[4-[[2-sulfo-5-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 8-methyl-5-[[4-[[2-sulfo-5-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 8-methyl-5-[[4-[2-sulfo-5-(trioxidanylsulfanyl)phenyl]azo-1-naphthyl]azo]naphthalene-1-sulfonic acid CAS Name: 8-methyl-5-[[4-[2-sulfo-5-(trioxidanylthio)phenyl]azo-1-naphthalenyl]azo]-1-naphthalenesulfonic acid IUPAC Name: 8-methyl-5-[[4-[[2-sulfo-5-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 8-methyl-5-[[4-[2-sulfo-5-(trioxidanylthio)phenyl]azo-1-naphthyl]azo]naphthalene-1-sulfonic acid Formula: C27H20N4O9S3 MolecularWeight: 640.6641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=C(C=CC(=C5)SOOO)S(=O)(=O)O)C=CC=C2S(=O)(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=C(C=CC(=C5)SOOO)S(=O)(=O)O)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C27H20N4O9S3/c1-16-9-11-23(20-7-4-8-26(27(16)20)43(36,37)38)30-28-21-12-13-22(19-6-3-2-5-18(19)21)29-31-24-15-17(41-40-39-32)10-14-25(24)42(33,34)35/h2-15,32H,1H3,(H,33,34,35)(H,36,37,38)