6-[(E)-2-(2-sulfocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 6-[(E)-2-(2-sulfocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 6-[(E)-2-(2-sulfocyclohexa-2,4-dien-1-yl)vinyl]cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 6-[(E)-2-(2-sulfo-1-cyclohexa-2,4-dienyl)ethenyl]-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 6-[(E)-2-(2-sulfocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 6-[(E)-2-(2-sulfocyclohexa-2,4-dien-1-yl)vinyl]cyclohexa-1,3-diene-1-sulfonic acid Formula: C14H16O6S2 MolecularWeight: 344.40324

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1C=CC2CC=CC=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C=CC=C(C1/C=C/C2CC=CC=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H16O6S2/c15-21(16,17)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)22(18,19)20/h1-4,7-12H,5-6H2,(H,15,16,17)(H,18,19,20)/b10-9+