butanedioic acid; 3-(2-ethylhexylsulfonylmethyl)heptane

Systemtic Name: butanedioic acid; 3-(2-ethylhexylsulfonylmethyl)heptane Openeye Name: 3-(2-ethylhexylsulfonylmethyl)heptane; succinic acid CAS Name: butanedioic acid; 3-(2-ethylhexylsulfonylmethyl)heptane IUPAC Name: butanedioic acid; 3-(2-ethylhexylsulfonylmethyl)heptane Traditional Name: 3-(2-ethylhexylsulfonylmethyl)heptane; succinic acid Formula: C20H40O6S MolecularWeight: 408.593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CS(=O)(=O)CC(CC)CCCC.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)CS(=O)(=O)CC(CC)CCCC.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H34O2S.C4H6O4/c1-5-9-11-15(7-3)13-19(17,18)14-16(8-4)12-10-6-2;5-3(6)1-2-4(7)8/h15-16H,5-14H2,1-4H3;1-2H2,(H,5,6)(H,7,8)