heptyl 3-(5-heptoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate

Systemtic Name: heptyl 3-(5-heptoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: heptyl 3-(5-heptoxycarbonyl-2-hydroxy-phenyl)sulfanyl-4-hydroxy-benzoate CAS Name: 3-[[5-[heptoxy(oxo)methyl]-2-hydroxyphenyl]thio]-4-hydroxybenzoic acid heptyl ester IUPAC Name: heptyl 3-(5-heptoxycarbonyl-2-hydroxyphenyl)sulfanyl-4-hydroxybenzoate Traditional Name: 3-[(5-heptoxycarbonyl-2-hydroxy-phenyl)thio]-4-hydroxy-benzoic acid heptyl ester Formula: C28H38O6S MolecularWeight: 502.66272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCC)O

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCC)O

InChI

InChI=1S/C28H38O6S/c1-3-5-7-9-11-17-33-27(31)21-13-15-23(29)25(19-21)35-26-20-22(14-16-24(26)30)28(32)34-18-12-10-8-6-4-2/h13-16,19-20,29-30H,3-12,17-18H2,1-2H3