1,2-dioxirane-3-sulfonic acid; 3-[(4-methoxyphenyl)methyl]thiophene-2-carbothioic S-acid

Systemtic Name: 1,2-dioxirane-3-sulfonic acid; 3-[(4-methoxyphenyl)methyl]thiophene-2-carbothioic S-acid Openeye Name: dioxirane-3-sulfonic acid; 3-[(4-methoxyphenyl)methyl]thiophene-2-carbothioic S-acid CAS Name: 3-dioxiranesulfonic acid; 3-[(4-methoxyphenyl)methyl]-2-thiophenecarbothioic S-acid IUPAC Name: dioxirane-3-sulfonic acid; 3-[(4-methoxyphenyl)methyl]thiophene-2-carbothioic S-acid Traditional Name: dioxirane-3-sulfonic acid; 3-p-anisylthiophene-2-carbothioic S-acid Formula: C14H14O7S3 MolecularWeight: 390.45176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(SC=C2)C(=O)S.C1(OO1)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(SC=C2)C(=O)S.C1(OO1)S(=O)(=O)O

InChI

InChI=1S/C13H12O2S2.CH2O5S/c1-15-11-4-2-9(3-5-11)8-10-6-7-17-12(10)13(14)16;2-7(3,4)1-5-6-1/h2-7H,8H2,1H3,(H,14,16);1H,(H,2,3,4)