3,4-bis[1-(naphthalen-2-ylmethylsulfanyl)propyl]phthalate

Systemtic Name: 3,4-bis[1-(naphthalen-2-ylmethylsulfanyl)propyl]phthalate Openeye Name: 3,4-bis[1-(2-naphthylmethylsulfanyl)propyl]phthalate CAS Name: 3,4-bis[1-(2-naphthalenylmethylthio)propyl]phthalate IUPAC Name: 3,4-bis[1-(naphthalen-2-ylmethylsulfanyl)propyl]phthalate Traditional Name: 3,4-bis[1-(2-naphthylmethylthio)propyl]phthalate Formula: C36H32O4S2-2 MolecularWeight: 592.76688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CC)SCC2=CC3=CC=CC=C3C=C2)SCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCC(C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CC)SCC2=CC3=CC=CC=C3C=C2)SCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C36H34O4S2/c1-3-31(41-21-23-13-15-25-9-5-7-11-27(25)19-23)29-17-18-30(35(37)38)34(36(39)40)33(29)32(4-2)42-22-24-14-16-26-10-6-8-12-28(26)20-24/h5-20,31-32H,3-4,21-22H2,1-2H3,(H,37,38)(H,39,40)/p-2