4-(6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)sulfanylbenzoic acid

Systemtic Name: 4-(6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)sulfanylbenzoic acid Openeye Name: 4-(6'-nitrospiro[1,3-dioxolane-2,3'-indane]-5'-yl)sulfanylbenzoic acid CAS Name: 4-[(6-nitro-5-spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]yl)thio]benzoic acid IUPAC Name: 4-(6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)sulfanylbenzoic acid Traditional Name: 4-[(6'-nitrospiro[1,3-dioxolane-2,3'-indane]-5'-yl)thio]benzoic acid Formula: C18H15NO6S MolecularWeight: 373.3798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C3=CC(=C(C=C31)[N+](=O)[O-])SC4=CC=C(C=C4)C(=O)O)OCCO2

Isomeric SMILES

C1CC2(C3=CC(=C(C=C31)[N+](=O)[O-])SC4=CC=C(C=C4)C(=O)O)OCCO2

InChI

InChI=1S/C18H15NO6S/c20-17(21)11-1-3-13(4-2-11)26-16-10-14-12(9-15(16)19(22)23)5-6-18(14)24-7-8-25-18/h1-4,9-10H,5-8H2,(H,20,21)