3-methanoyl-5-methyl-2-phosphonooxy-benzenecarbothioic S-acid

Systemtic Name: 3-methanoyl-5-methyl-2-phosphonooxy-benzenecarbothioic S-acid Openeye Name: 3-formyl-5-methyl-2-phosphonooxy-benzenecarbothioic S-acid CAS Name: 3-formyl-5-methyl-2-phosphonooxybenzenecarbothioic S-acid IUPAC Name: 3-formyl-5-methyl-2-phosphonooxybenzenecarbothioic S-acid Traditional Name: 3-formyl-5-methyl-2-phosphonooxy-thiobenzoic acid Formula: C9H9O6PS MolecularWeight: 276.202921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=O)OP(=O)(O)O)C(=O)S

Isomeric SMILES

CC1=CC(=C(C(=C1)C=O)OP(=O)(O)O)C(=O)S

InChI

InChI=1S/C9H9O6PS/c1-5-2-6(4-10)8(15-16(12,13)14)7(3-5)9(11)17/h2-4H,1H3,(H,11,17)(H2,12,13,14)