(2-propan-2-yl-3-sulfanylidene-cyclohexa-1,5-dien-1-yl)phosphonic acid

Systemtic Name: (2-propan-2-yl-3-sulfanylidene-cyclohexa-1,5-dien-1-yl)phosphonic acid Openeye Name: (2-isopropyl-3-thioxo-cyclohexa-1,5-dien-1-yl)phosphonic acid CAS Name: (2-propan-2-yl-3-sulfanylidene-1-cyclohexa-1,5-dienyl)phosphonic acid IUPAC Name: (2-propan-2-yl-3-sulfanylidenecyclohexa-1,5-dien-1-yl)phosphonic acid Traditional Name: (2-isopropyl-3-thioxo-cyclohexa-1,5-dien-1-yl)phosphonic acid Formula: C9H13O3PS MolecularWeight: 232.236481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CCC1=S)P(=O)(O)O

Isomeric SMILES

CC(C)C1=C(C=CCC1=S)P(=O)(O)O

InChI

InChI=1S/C9H13O3PS/c1-6(2)9-7(13(10,11)12)4-3-5-8(9)14/h3-4,6H,5H2,1-2H3,(H2,10,11,12)