(E)-4-[(3,6-disulfonaphthalen-1-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3,6-disulfonaphthalen-1-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3,6-disulfo-1-naphthyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3,6-disulfo-1-naphthalenyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3,6-disulfonaphthalen-1-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3,6-disulfo-1-naphthyl)amino]-4-keto-but-2-enoic acid Formula: C14H11NO9S2 MolecularWeight: 401.36844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H11NO9S2/c16-13(3-4-14(17)18)15-12-7-10(26(22,23)24)6-8-5-9(25(19,20)21)1-2-11(8)12/h1-7H,(H,15,16)(H,17,18)(H,19,20,21)(H,22,23,24)/b4-3+