benzene-1,3-dicarboxylic acid; 1-ethenyl-1-ethyl-thiirane

Systemtic Name: benzene-1,3-dicarboxylic acid; 1-ethenyl-1-ethyl-thiirane Openeye Name: 1-ethyl-1-vinyl-thiirane; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 1-ethenyl-1-ethylthiirane IUPAC Name: benzene-1,3-dicarboxylic acid; 1-ethenyl-1-ethylthiirane Traditional Name: 1-ethyl-1-vinyl-thiirane; isophthalic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCS1(CC1)C=C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCS1(CC1)C=C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C6H12S/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-7(4-2)5-6-7/h1-4H,(H,9,10)(H,11,12);3H,1,4-6H2,2H3