6-sulfanylhexyl 3-nitro-4-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]benzoate

Systemtic Name: 6-sulfanylhexyl 3-nitro-4-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]benzoate Openeye Name: 6-sulfanylhexyl 3-nitro-4-[[4-[(E)-styryl]phenoxy]methyl]benzoate CAS Name: 3-nitro-4-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]benzoic acid 6-mercaptohexyl ester IUPAC Name: 6-sulfanylhexyl 3-nitro-4-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]benzoate Traditional Name: 3-nitro-4-[[4-[(E)-styryl]phenoxy]methyl]benzoic acid 6-mercaptohexyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)OCC3=C(C=C(C=C3)C(=O)OCCCCCCS)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCC3=C(C=C(C=C3)C(=O)OCCCCCCS)[N+](=O)[O-]

InChI

InChI=1S/C28H29NO5S/c30-28(33-18-6-1-2-7-19-35)24-14-15-25(27(20-24)29(31)32)21-34-26-16-12-23(13-17-26)11-10-22-8-4-3-5-9-22/h3-5,8-17,20,35H,1-2,6-7,18-19,21H2/b11-10+