3,6-bis(oxidanylidene)-4-pentadecyl-cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 3,6-bis(oxidanylidene)-4-pentadecyl-cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 3,6-dioxo-4-pentadecyl-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 3,6-dioxo-4-pentadecyl-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 3,6-dioxo-4-pentadecylcyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3,6-diketo-4-pentadecyl-cyclohexa-1,4-diene-1-sulfonic acid Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=O)C(=CC1=O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=O)C(=CC1=O)S(=O)(=O)O

InChI

InChI=1S/C21H34O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-20(23)21(17-19(18)22)27(24,25)26/h16-17H,2-15H2,1H3,(H,24,25,26)