(2Z)-2-methyl-5-(2-sulfoethoxycarbonyl)hexa-2,5-dienoic acid

Systemtic Name: (2Z)-2-methyl-5-(2-sulfoethoxycarbonyl)hexa-2,5-dienoic acid Openeye Name: (2Z)-2-methyl-5-(2-sulfoethoxycarbonyl)hexa-2,5-dienoic acid CAS Name: (2Z)-2-methyl-5-[oxo(2-sulfoethoxy)methyl]hexa-2,5-dienoic acid IUPAC Name: (2Z)-2-methyl-5-(2-sulfoethoxycarbonyl)hexa-2,5-dienoic acid Traditional Name: (2Z)-2-methyl-5-(2-sulfoethoxycarbonyl)hexa-2,5-dienoic acid Formula: C10H14O7S MolecularWeight: 278.27896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(=C)C(=O)OCCS(=O)(=O)O)C(=O)O

Isomeric SMILES

C/C(=C/CC(=C)C(=O)OCCS(=O)(=O)O)/C(=O)O

InChI

InChI=1S/C10H14O7S/c1-7(9(11)12)3-4-8(2)10(13)17-5-6-18(14,15)16/h3H,2,4-6H2,1H3,(H,11,12)(H,14,15,16)/b7-3-