4-azanyl-5-(4-methylphenyl)sulfonyloxy-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-azanyl-5-(4-methylphenyl)sulfonyloxy-naphthalene-2,7-disulfonic acid Openeye Name: 4-amino-5-(p-tolylsulfonyloxy)naphthalene-2,7-disulfonic acid CAS Name: 4-amino-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid Traditional Name: 4-amino-5-tosyloxy-naphthalene-2,7-disulfonic acid Formula: C17H15NO9S3 MolecularWeight: 473.4973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)30(25,26)27-16-9-14(29(22,23)24)7-11-6-13(28(19,20)21)8-15(18)17(11)16/h2-9H,18H2,1H3,(H,19,20,21)(H,22,23,24)