3-[2-carboxyethyl-(4-methylcyclohexa-1,5-dien-1-yl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-(4-methylcyclohexa-1,5-dien-1-yl)sulfonyl-amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-(4-methylcyclohexa-1,5-dien-1-yl)sulfonyl-amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[(4-methyl-1-cyclohexa-1,5-dienyl)sulfonyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylamino]propanoic acid Traditional Name: 3-[2-carboxyethyl-(4-methylcyclohexa-1,5-dien-1-yl)sulfonyl-amino]propionic acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CC1CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C13H19NO6S/c1-10-2-4-11(5-3-10)21(19,20)14(8-6-12(15)16)9-7-13(17)18/h2,4-5,10H,3,6-9H2,1H3,(H,15,16)(H,17,18)