sodium 7-[[3-methoxy-4-(sulfomethylamino)phenyl]diazenyl]-3-sulfo-naphthalene-1-sulfonate

Systemtic Name: sodium 7-[[3-methoxy-4-(sulfomethylamino)phenyl]diazenyl]-3-sulfo-naphthalene-1-sulfonate Openeye Name: sodium 7-[3-methoxy-4-(sulfomethylamino)phenyl]azo-3-sulfo-naphthalene-1-sulfonate CAS Name: sodium 7-[3-methoxy-4-(sulfomethylamino)phenyl]azo-3-sulfo-1-naphthalenesulfonate IUPAC Name: sodium 7-[[3-methoxy-4-(sulfomethylamino)phenyl]diazenyl]-3-sulfonaphthalene-1-sulfonate Traditional Name: sodium 7-[3-methoxy-4-(sulfomethylamino)phenyl]azo-3-sulfo-naphthalene-1-sulfonate Formula: C18H16N3NaO10S3 MolecularWeight: 553.51851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)[O-])NCS(=O)(=O)O.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)[O-])NCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H17N3O10S3.Na/c1-31-17-8-13(4-5-16(17)19-10-32(22,23)24)21-20-12-3-2-11-6-14(33(25,26)27)9-18(15(11)7-12)34(28,29)30;/h2-9,19H,10H2,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);/q;+1/p-1