2,2-di(octan-3-yl)-3-sulfo-butanedioic acid

Systemtic Name: 2,2-di(octan-3-yl)-3-sulfo-butanedioic acid Openeye Name: 2,2-bis(1-ethylhexyl)-3-sulfo-butanedioic acid CAS Name: 2,2-di(octan-3-yl)-3-sulfobutanedioic acid IUPAC Name: 2,2-di(octan-3-yl)-3-sulfobutanedioic acid Traditional Name: 2,2-bis(1-ethylhexyl)-3-sulfo-succinic acid Formula: C20H38O7S MolecularWeight: 422.57652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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