3-azanyl-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid

Systemtic Name: 3-azanyl-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid Openeye Name: 3-amino-4-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonic acid CAS Name: 3-amino-4-[4-(2-sulfooxyethylsulfonyl)phenyl]azonaphthalene-2,7-disulfonic acid IUPAC Name: 3-amino-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid Traditional Name: 3-amino-4-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonic acid Formula: C18H17N3O12S4 MolecularWeight: 595.60048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C18H17N3O12S4/c19-17-16(36(27,28)29)10-11-9-14(35(24,25)26)5-6-15(11)18(17)21-20-12-1-3-13(4-2-12)34(22,23)8-7-33-37(30,31)32/h1-6,9-10H,7-8,19H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)