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

Systemtic Name: 5-(3-methylphenyl)sulfanyl-6-nitro-spiro[1,2-dihydroindene-3,2'-1,3-dioxolane] Openeye Name: 6'-(m-tolylsulfanyl)-5'-nitro-spiro[1,3-dioxolane-2,1'-indane] CAS Name: 5-[(3-methylphenyl)thio]-6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] IUPAC Name: 5-(3-methylphenyl)sulfanyl-6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] Traditional Name: 6'-(m-tolylthio)-5'-nitro-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=C1)SC2=C(C=C3CCC4(C3=C2)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)SC2=C(C=C3CCC4(C3=C2)OCCO4)[N+](=O)[O-]

InChI

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