4-[(2-azanyl-5-sulfo-naphthalen-1-yl)diazenyl]-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid

Systemtic Name: 4-[(2-azanyl-5-sulfo-naphthalen-1-yl)diazenyl]-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid Openeye Name: 4-[(2-amino-5-sulfo-1-naphthyl)azo]-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid CAS Name: 4-[(2-amino-5-sulfo-1-naphthalenyl)azo]-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid IUPAC Name: 4-[(2-amino-5-sulfonaphthalen-1-yl)diazenyl]-6-(2-sulfooxyethylsulfonyl)benzene-1,3-disulfonic acid Traditional Name: 4-[(2-amino-5-sulfo-1-naphthyl)azo]-6-(2-sulfoxyethylsulfonyl)benzene-1,3-disulfonic acid Formula: C18H17N3O15S5 MolecularWeight: 675.66368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=NC3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)N)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=NC3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)N)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O15S5/c19-12-5-4-10-11(2-1-3-14(10)38(24,25)26)18(12)21-20-13-8-16(37(22,23)7-6-36-41(33,34)35)17(40(30,31)32)9-15(13)39(27,28)29/h1-5,8-9H,6-7,19H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35)