2,3-bis(6-methylheptyl)-2-sulfo-butanedioic acid

Systemtic Name: 2,3-bis(6-methylheptyl)-2-sulfo-butanedioic acid Openeye Name: 2,3-bis(6-methylheptyl)-2-sulfo-butanedioic acid CAS Name: 2,3-bis(6-methylheptyl)-2-sulfobutanedioic acid IUPAC Name: 2,3-bis(6-methylheptyl)-2-sulfobutanedioic acid Traditional Name: 2,3-bis(6-methylheptyl)-2-sulfo-succinic acid Formula: C20H38O7S MolecularWeight: 422.57652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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