5-methyl-7-nitro-4-(4-phenylmethoxy-3-propan-2-yl-phenyl)sulfanyl-2,3-dihydro-1H-indene

Systemtic Name: 5-methyl-7-nitro-4-(4-phenylmethoxy-3-propan-2-yl-phenyl)sulfanyl-2,3-dihydro-1H-indene Openeye Name: 4-(4-benzyloxy-3-isopropyl-phenyl)sulfanyl-5-methyl-7-nitro-indane CAS Name: 5-methyl-7-nitro-4-[(4-phenylmethoxy-3-propan-2-ylphenyl)thio]-2,3-dihydro-1H-indene IUPAC Name: 5-methyl-7-nitro-4-(4-phenylmethoxy-3-propan-2-ylphenyl)sulfanyl-2,3-dihydro-1H-indene Traditional Name: 4-[(4-benzoxy-3-isopropyl-phenyl)thio]-5-methyl-7-nitro-indane Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CCCC2=C1SC3=CC(=C(C=C3)OCC4=CC=CC=C4)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C2CCCC2=C1SC3=CC(=C(C=C3)OCC4=CC=CC=C4)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H27NO3S/c1-17(2)23-15-20(12-13-25(23)30-16-19-8-5-4-6-9-19)31-26-18(3)14-24(27(28)29)21-10-7-11-22(21)26/h4-6,8-9,12-15,17H,7,10-11,16H2,1-3H3