2-methoxy-5-(3-methyl-2-sulfo-cyclohexa-1,3-dien-1-yl)benzenesulfonic acid

Systemtic Name: 2-methoxy-5-(3-methyl-2-sulfo-cyclohexa-1,3-dien-1-yl)benzenesulfonic acid Openeye Name: 2-methoxy-5-(3-methyl-2-sulfo-cyclohexa-1,3-dien-1-yl)benzenesulfonic acid CAS Name: 2-methoxy-5-(3-methyl-2-sulfo-1-cyclohexa-1,3-dienyl)benzenesulfonic acid IUPAC Name: 2-methoxy-5-(3-methyl-2-sulfocyclohexa-1,3-dien-1-yl)benzenesulfonic acid Traditional Name: 2-methoxy-5-(3-methyl-2-sulfo-cyclohexa-1,3-dien-1-yl)besylic acid Formula: C14H16O7S2 MolecularWeight: 360.40264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(=C1S(=O)(=O)O)C2=CC(=C(C=C2)OC)S(=O)(=O)O

Isomeric SMILES

CC1=CCCC(=C1S(=O)(=O)O)C2=CC(=C(C=C2)OC)S(=O)(=O)O

InChI

InChI=1S/C14H16O7S2/c1-9-4-3-5-11(14(9)23(18,19)20)10-6-7-12(21-2)13(8-10)22(15,16)17/h4,6-8H,3,5H2,1-2H3,(H,15,16,17)(H,18,19,20)