3,4-bis(1-naphthalen-2-ylsulfanylpropyl)phthalic acid

Systemtic Name: 3,4-bis(1-naphthalen-2-ylsulfanylpropyl)phthalic acid Openeye Name: 3,4-bis[1-(2-naphthylsulfanyl)propyl]phthalic acid CAS Name: 3,4-bis[1-(2-naphthalenylthio)propyl]phthalic acid IUPAC Name: 3,4-bis(1-naphthalen-2-ylsulfanylpropyl)phthalic acid Traditional Name: 3,4-bis[1-(2-naphthylthio)propyl]phthalic acid Formula: C34H30O4S2 MolecularWeight: 566.7296

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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)SC2=CC3=CC=CC=C3C=C2)SC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SC2=CC3=CC=CC=C3C=C2)SC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C34H30O4S2/c1-3-29(39-25-15-13-21-9-5-7-11-23(21)19-25)27-17-18-28(33(35)36)32(34(37)38)31(27)30(4-2)40-26-16-14-22-10-6-8-12-24(22)20-26/h5-20,29-30H,3-4H2,1-2H3,(H,35,36)(H,37,38)