3,6-bis(2-methylheptan-2-yl)-1-(2-oxidanylnaphthalen-1-yl)sulfanyl-naphthalen-2-ol

Systemtic Name: 3,6-bis(2-methylheptan-2-yl)-1-(2-oxidanylnaphthalen-1-yl)sulfanyl-naphthalen-2-ol Openeye Name: 3,6-bis(1,1-dimethylhexyl)-1-[(2-hydroxy-1-naphthyl)sulfanyl]naphthalen-2-ol CAS Name: 1-[(2-hydroxy-1-naphthalenyl)thio]-3,6-bis(2-methylheptan-2-yl)-2-naphthalenol IUPAC Name: 1-(2-hydroxynaphthalen-1-yl)sulfanyl-3,6-bis(2-methylheptan-2-yl)naphthalen-2-ol Traditional Name: 3,6-bis(1,1-dimethylhexyl)-1-[(2-hydroxy-1-naphthyl)thio]-2-naphthol Formula: C36H46O2S MolecularWeight: 542.81424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC2=CC(=C(C(=C2C=C1)SC3=C(C=CC4=CC=CC=C43)O)O)C(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC2=CC(=C(C(=C2C=C1)SC3=C(C=CC4=CC=CC=C43)O)O)C(C)(C)CCCCC

InChI

InChI=1S/C36H46O2S/c1-7-9-13-21-35(3,4)27-18-19-29-26(23-27)24-30(36(5,6)22-14-10-8-2)32(38)34(29)39-33-28-16-12-11-15-25(28)17-20-31(33)37/h11-12,15-20,23-24,37-38H,7-10,13-14,21-22H2,1-6H3