2-(4-acetamido-2-sulfo-phenyl)-5-(methoxymethylamino)benzenesulfonic acid

Systemtic Name: 2-(4-acetamido-2-sulfo-phenyl)-5-(methoxymethylamino)benzenesulfonic acid Openeye Name: 2-(4-acetamido-2-sulfo-phenyl)-5-(methoxymethylamino)benzenesulfonic acid CAS Name: 2-(4-acetamido-2-sulfophenyl)-5-(methoxymethylamino)benzenesulfonic acid IUPAC Name: 2-(4-acetamido-2-sulfophenyl)-5-(methoxymethylamino)benzenesulfonic acid Traditional Name: 2-(4-acetamido-2-sulfo-phenyl)-5-(methoxymethylamino)besylic acid Formula: C16H18N2O8S2 MolecularWeight: 430.45272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=C(C=C(C=C2)NCOC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=C(C=C(C=C2)NCOC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O8S2/c1-10(19)18-12-4-6-14(16(8-12)28(23,24)25)13-5-3-11(17-9-26-2)7-15(13)27(20,21)22/h3-8,17H,9H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)