2,3-bis(2-ethylhexyl)-2-sulfo-butanedioic acid

Systemtic Name: 2,3-bis(2-ethylhexyl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(2-ethylhexyl)-2-sulfo-butanedioic acid CAS Name: 2,3-bis(2-ethylhexyl)-2-sulfobutanedioic acid IUPAC Name: 2,3-bis(2-ethylhexyl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(2-ethylhexyl)-2-sulfo-succinic acid Formula: C20H38O7S MolecularWeight: 422.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(=O)O)C(CC(CC)CCCC)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CC(C(=O)O)C(CC(CC)CCCC)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H38O7S/c1-5-9-11-15(7-3)13-17(18(21)22)20(19(23)24,28(25,26)27)14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3,(H,21,22)(H,23,24)(H,25,26,27)