2-propyl-5-(4-propyl-3-sulfo-phenyl)benzenesulfonic acid

Systemtic Name: 2-propyl-5-(4-propyl-3-sulfo-phenyl)benzenesulfonic acid Openeye Name: 2-propyl-5-(4-propyl-3-sulfo-phenyl)benzenesulfonic acid CAS Name: 2-propyl-5-(4-propyl-3-sulfophenyl)benzenesulfonic acid IUPAC Name: 2-propyl-5-(4-propyl-3-sulfophenyl)benzenesulfonic acid Traditional Name: 2-propyl-5-(4-propyl-3-sulfo-phenyl)besylic acid Formula: C18H22O6S2 MolecularWeight: 398.49368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C2=CC(=C(C=C2)CCC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCC1=C(C=C(C=C1)C2=CC(=C(C=C2)CCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H22O6S2/c1-3-5-13-7-9-15(11-17(13)25(19,20)21)16-10-8-14(6-4-2)18(12-16)26(22,23)24/h7-12H,3-6H2,1-2H3,(H,19,20,21)(H,22,23,24)