2-(2-ethylhexyl)-3-[(E)-prop-1-enyl]-2-sulfo-butanedioic acid

Systemtic Name: 2-(2-ethylhexyl)-3-[(E)-prop-1-enyl]-2-sulfo-butanedioic acid Openeye Name: 2-(2-ethylhexyl)-3-[(E)-prop-1-enyl]-2-sulfo-butanedioic acid CAS Name: 2-(2-ethylhexyl)-3-[(E)-prop-1-enyl]-2-sulfobutanedioic acid IUPAC Name: 2-(2-ethylhexyl)-3-[(E)-prop-1-enyl]-2-sulfobutanedioic acid Traditional Name: 2-(2-ethylhexyl)-3-[(E)-prop-1-enyl]-2-sulfo-succinic acid Formula: C15H26O7S MolecularWeight: 350.42774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26O7S/c1-4-7-9-11(6-3)10-15(14(18)19,23(20,21)22)12(8-5-2)13(16)17/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,16,17)(H,18,19)(H,20,21,22)/b8-5+