3-sulfo-2,2-di(tridecyl)butanedioic acid

Systemtic Name: 3-sulfo-2,2-di(tridecyl)butanedioic acid Openeye Name: 3-sulfo-2,2-di(tridecyl)butanedioic acid CAS Name: 3-sulfo-2,2-di(tridecyl)butanedioic acid IUPAC Name: 3-sulfo-2,2-di(tridecyl)butanedioic acid Traditional Name: 3-sulfo-2,2-di(tridecyl)succinic acid Formula: C30H58O7S MolecularWeight: 562.84232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C30H58O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(29(33)34,27(28(31)32)38(35,36)37)26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H,31,32)(H,33,34)(H,35,36,37)