3-[4,5-dimethyl-2-(3-sulfopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonic acid

Systemtic Name: 3-[4,5-dimethyl-2-(3-sulfopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonic acid Openeye Name: 3-[4,5-dimethyl-2-(3-sulfopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonic acid CAS Name: 3-[4,5-dimethyl-2-(3-sulfopropylsulfonyl)phenyl]sulfonyl-1-propanesulfonic acid IUPAC Name: 3-[4,5-dimethyl-2-(3-sulfopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonic acid Traditional Name: 3-[4,5-dimethyl-2-(3-sulfopropylsulfonyl)phenyl]sulfonylpropane-1-sulfonic acid Formula: C14H22O10S4 MolecularWeight: 478.57848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)CCCS(=O)(=O)O)S(=O)(=O)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)CCCS(=O)(=O)O)S(=O)(=O)CCCS(=O)(=O)O

InChI

InChI=1S/C14H22O10S4/c1-11-9-13(25(15,16)5-3-7-27(19,20)21)14(10-12(11)2)26(17,18)6-4-8-28(22,23)24/h9-10H,3-8H2,1-2H3,(H,19,20,21)(H,22,23,24)