4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfinic acid

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfinic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfinic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1-cyclopentenyl]benzenesulfinic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfinic acid Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfinic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)S(=O)O

Isomeric SMILES

C1CC(=C(C1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)S(=O)O

InChI

InChI=1S/C18H16O4S/c19-23(20)14-7-4-12(5-8-14)15-2-1-3-16(15)13-6-9-17-18(10-13)22-11-21-17/h4-10H,1-3,11H2,(H,19,20)