2-pentyl-2-sulfo-3-tridecan-7-yl-butanedioic acid

Systemtic Name: 2-pentyl-2-sulfo-3-tridecan-7-yl-butanedioic acid Openeye Name: 3-(1-hexylheptyl)-2-pentyl-2-sulfo-butanedioic acid CAS Name: 2-pentyl-2-sulfo-3-tridecan-7-ylbutanedioic acid IUPAC Name: 2-pentyl-2-sulfo-3-tridecan-7-ylbutanedioic acid Traditional Name: 2-amyl-3-(1-hexylheptyl)-2-sulfo-succinic acid Formula: C22H42O7S MolecularWeight: 450.62968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S/c1-4-7-10-12-15-18(16-13-11-8-5-2)19(20(23)24)22(21(25)26,30(27,28)29)17-14-9-6-3/h18-19H,4-17H2,1-3H3,(H,23,24)(H,25,26)(H,27,28,29)