4-(2-methylundecan-2-yl)-2-[5-(2-methylundecan-2-yl)-2-oxidanidyl-phenyl]sulfanyl-phenolate

Systemtic Name: 4-(2-methylundecan-2-yl)-2-[5-(2-methylundecan-2-yl)-2-oxidanidyl-phenyl]sulfanyl-phenolate Openeye Name: 4-(1,1-dimethyldecyl)-2-[5-(1,1-dimethyldecyl)-2-oxido-phenyl]sulfanyl-phenolate CAS Name: 4-(2-methylundecan-2-yl)-2-[[5-(2-methylundecan-2-yl)-2-oxidophenyl]thio]phenolate IUPAC Name: 4-(2-methylundecan-2-yl)-2-[5-(2-methylundecan-2-yl)-2-oxidophenyl]sulfanylphenolate Traditional Name: 4-(1,1-dimethyldecyl)-2-[[5-(1,1-dimethyldecyl)-2-oxido-phenyl]thio]phenolate Formula: C36H56O2S-2 MolecularWeight: 552.89364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CCCCCCCCC)[O-]

Isomeric SMILES

CCCCCCCCCC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CCCCCCCCC)[O-]

InChI

InChI=1S/C36H58O2S/c1-7-9-11-13-15-17-19-25-35(3,4)29-21-23-31(37)33(27-29)39-34-28-30(22-24-32(34)38)36(5,6)26-20-18-16-14-12-10-8-2/h21-24,27-28,37-38H,7-20,25-26H2,1-6H3/p-2