benzene-1,3-dicarboxylic acid; 1-ethenyl-2-methyl-1-propyl-thiirane

Systemtic Name: benzene-1,3-dicarboxylic acid; 1-ethenyl-2-methyl-1-propyl-thiirane Openeye Name: isophthalic acid; 2-methyl-1-propyl-1-vinyl-thiirane CAS Name: benzene-1,3-dicarboxylic acid; 1-ethenyl-2-methyl-1-propylthiirane IUPAC Name: benzene-1,3-dicarboxylic acid; 1-ethenyl-2-methyl-1-propylthiirane Traditional Name: isophthalic acid; 2-methyl-1-propyl-1-vinyl-thiirane Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCCS1(CC1C)C=C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCS1(CC1C)C=C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C8H16S/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-4-6-9(5-2)7-8(9)3/h1-4H,(H,9,10)(H,11,12);5,8H,2,4,6-7H2,1,3H3