2-[(4-azanyl-3-methoxy-7-sulfo-naphthalen-1-yl)diazenyl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[(4-azanyl-3-methoxy-7-sulfo-naphthalen-1-yl)diazenyl]benzene-1,4-disulfonic acid Openeye Name: 2-[(4-amino-3-methoxy-7-sulfo-1-naphthyl)azo]benzene-1,4-disulfonic acid CAS Name: 2-[(4-amino-3-methoxy-7-sulfo-1-naphthalenyl)azo]benzene-1,4-disulfonic acid IUPAC Name: 2-[(4-amino-3-methoxy-7-sulfonaphthalen-1-yl)diazenyl]benzene-1,4-disulfonic acid Traditional Name: 2-[(4-amino-3-methoxy-7-sulfo-1-naphthyl)azo]benzene-1,4-disulfonic acid Formula: C17H15N3O10S3 MolecularWeight: 517.5101

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C17H15N3O10S3/c1-30-15-8-13(12-6-9(31(21,22)23)2-4-11(12)17(15)18)19-20-14-7-10(32(24,25)26)3-5-16(14)33(27,28)29/h2-8H,18H2,1H3,(H,21,22,23)(H,24,25,26)(H,27,28,29)