4-[(E)-2-azanylethenyl]-5-sulfino-naphthalene-2-sulfonic acid

Systemtic Name: 4-[(E)-2-azanylethenyl]-5-sulfino-naphthalene-2-sulfonic acid Openeye Name: 4-[(E)-2-aminovinyl]-5-sulfino-naphthalene-2-sulfonic acid CAS Name: 4-[(E)-2-aminoethenyl]-5-sulfino-2-naphthalenesulfonic acid IUPAC Name: 4-[(E)-2-aminoethenyl]-5-sulfinonaphthalene-2-sulfonic acid Traditional Name: 4-[(E)-2-aminovinyl]-5-sulfino-naphthalene-2-sulfonic acid Formula: C12H11NO5S2 MolecularWeight: 313.34944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC(=C2C(=C1)S(=O)O)C=CN)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)S(=O)O)/C=C/N)S(=O)(=O)O

InChI

InChI=1S/C12H11NO5S2/c13-5-4-9-7-10(20(16,17)18)6-8-2-1-3-11(12(8)9)19(14)15/h1-7H,13H2,(H,14,15)(H,16,17,18)/b5-4+