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

Systemtic Name: 5-(2-methylphenyl)sulfanyl-6-nitro-spiro[1,2-dihydroindene-3,2'-1,3-dioxolane] Openeye Name: 5'-nitro-6'-(o-tolylsulfanyl)spiro[1,3-dioxolane-2,1'-indane] CAS Name: 5-[(2-methylphenyl)thio]-6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] IUPAC Name: 5-(2-methylphenyl)sulfanyl-6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] Traditional Name: 5'-nitro-6'-(o-tolylthio)spiro[1,3-dioxolane-2,1'-indane] Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C3CCC4(C3=C2)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C3CCC4(C3=C2)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO4S/c1-12-4-2-3-5-16(12)24-17-11-14-13(10-15(17)19(20)21)6-7-18(14)22-8-9-23-18/h2-5,10-11H,6-9H2,1H3