2-[(E)-2-(4-acetamido-2-sulfo-phenyl)ethenyl]-5-(methoxymethylamino)benzenesulfonic acid

Systemtic Name: 2-[(E)-2-(4-acetamido-2-sulfo-phenyl)ethenyl]-5-(methoxymethylamino)benzenesulfonic acid Openeye Name: 2-[(E)-2-(4-acetamido-2-sulfo-phenyl)vinyl]-5-(methoxymethylamino)benzenesulfonic acid CAS Name: 2-[(E)-2-(4-acetamido-2-sulfophenyl)ethenyl]-5-(methoxymethylamino)benzenesulfonic acid IUPAC Name: 2-[(E)-2-(4-acetamido-2-sulfophenyl)ethenyl]-5-(methoxymethylamino)benzenesulfonic acid Traditional Name: 2-[(E)-2-(4-acetamido-2-sulfo-phenyl)vinyl]-5-(methoxymethylamino)besylic acid Formula: C18H20N2O8S2 MolecularWeight: 456.49

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)NCOC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O8S2/c1-12(21)20-16-8-6-14(18(10-16)30(25,26)27)4-3-13-5-7-15(19-11-28-2)9-17(13)29(22,23)24/h3-10,19H,11H2,1-2H3,(H,20,21)(H,22,23,24)(H,25,26,27)/b4-3+