5-(4-bromophenyl)sulfanyl-6-nitro-spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

Systemtic Name: 5-(4-bromophenyl)sulfanyl-6-nitro-spiro[1,2-dihydroindene-3,2'-1,3-dioxolane] Openeye Name: 6'-(4-bromophenyl)sulfanyl-5'-nitro-spiro[1,3-dioxolane-2,1'-indane] CAS Name: 5-[(4-bromophenyl)thio]-6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] IUPAC Name: 5-(4-bromophenyl)sulfanyl-6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] Traditional Name: 6'-[(4-bromophenyl)thio]-5'-nitro-spiro[1,3-dioxolane-2,1'-indane] Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO4S/c18-12-1-3-13(4-2-12)24-16-10-14-11(9-15(16)19(20)21)5-6-17(14)22-7-8-23-17/h1-4,9-10H,5-8H2