2-(9-octyloctadecan-9-yl)-2-sulfo-butanedioic acid

Systemtic Name: 2-(9-octyloctadecan-9-yl)-2-sulfo-butanedioic acid Openeye Name: 2-(1,1-dioctyldecyl)-2-sulfo-butanedioic acid CAS Name: 2-(9-octyloctadecan-9-yl)-2-sulfobutanedioic acid IUPAC Name: 2-(9-octyloctadecan-9-yl)-2-sulfobutanedioic acid Traditional Name: 2-(1,1-dioctyldecyl)-2-sulfo-succinic acid Formula: C30H58O7S MolecularWeight: 562.84232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)C(CC(=O)O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)C(CC(=O)O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H58O7S/c1-4-7-10-13-16-19-22-25-29(23-20-17-14-11-8-5-2,24-21-18-15-12-9-6-3)30(28(33)34,26-27(31)32)38(35,36)37/h4-26H2,1-3H3,(H,31,32)(H,33,34)(H,35,36,37)