3-(2-ethylhexyl)-2-prop-2-enyl-2-sulfo-butanedioic acid

Systemtic Name: 3-(2-ethylhexyl)-2-prop-2-enyl-2-sulfo-butanedioic acid Openeye Name: 2-allyl-3-(2-ethylhexyl)-2-sulfo-butanedioic acid CAS Name: 3-(2-ethylhexyl)-2-prop-2-enyl-2-sulfobutanedioic acid IUPAC Name: 3-(2-ethylhexyl)-2-prop-2-enyl-2-sulfobutanedioic acid Traditional Name: 2-allyl-3-(2-ethylhexyl)-2-sulfo-succinic acid Formula: C15H26O7S MolecularWeight: 350.42774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26O7S/c1-4-7-8-11(6-3)10-12(13(16)17)15(9-5-2,14(18)19)23(20,21)22/h5,11-12H,2,4,6-10H2,1,3H3,(H,16,17)(H,18,19)(H,20,21,22)