sodium 4-oxidanyl-5-[(4-phenylazanyl-5-sulfo-naphthalen-1-yl)diazenyl]-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 4-oxidanyl-5-[(4-phenylazanyl-5-sulfo-naphthalen-1-yl)diazenyl]-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 5-[(4-anilino-5-sulfo-1-naphthyl)azo]-4-hydroxy-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 5-[(4-anilino-5-sulfo-1-naphthalenyl)azo]-4-hydroxy-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 5-[(4-anilino-5-sulfonaphthalen-1-yl)diazenyl]-4-hydroxy-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 5-[(4-anilino-5-sulfo-1-naphthyl)azo]-4-hydroxy-7-sulfo-naphthalene-2-sulfonate Formula: C26H18N3NaO10S3 MolecularWeight: 651.61999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)O.[Na+]

InChI

InChI=1S/C26H19N3O10S3.Na/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39;/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39);/q;+1/p-1