2,3-di(octan-4-yl)-2-sulfo-butanedioic acid

Systemtic Name: 2,3-di(octan-4-yl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(1-propylpentyl)-2-sulfo-butanedioic acid CAS Name: 2,3-di(octan-4-yl)-2-sulfobutanedioic acid IUPAC Name: 2,3-di(octan-4-yl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(1-propylpentyl)-2-sulfo-succinic acid Formula: C20H38O7S MolecularWeight: 422.57652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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