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

Systemtic Name: 5-(4-tert-butylphenyl)sulfanyl-6-nitro-spiro[1,2-dihydroindene-3,2'-1,3-dioxolane] Openeye Name: 6'-(4-tert-butylphenyl)sulfanyl-5'-nitro-spiro[1,3-dioxolane-2,1'-indane] CAS Name: 5-[(4-tert-butylphenyl)thio]-6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] IUPAC Name: 5-(4-tert-butylphenyl)sulfanyl-6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] Traditional Name: 6'-[(4-tert-butylphenyl)thio]-5'-nitro-spiro[1,3-dioxolane-2,1'-indane] Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-20(2,3)15-4-6-16(7-5-15)27-19-13-17-14(12-18(19)22(23)24)8-9-21(17)25-10-11-26-21/h4-7,12-13H,8-11H2,1-3H3