9-tert-butyl-2-methyl-1-phenyl-4-sulfanyl-hexadecan-4-ol

Systemtic Name: 9-tert-butyl-2-methyl-1-phenyl-4-sulfanyl-hexadecan-4-ol Openeye Name: 9-tert-butyl-2-methyl-1-phenyl-4-sulfanyl-hexadecan-4-ol CAS Name: 9-tert-butyl-4-mercapto-2-methyl-1-phenyl-4-hexadecanol IUPAC Name: 9-tert-butyl-2-methyl-1-phenyl-4-sulfanylhexadecan-4-ol Traditional Name: 9-tert-butyl-4-mercapto-2-methyl-1-phenyl-hexadecan-4-ol Formula: C27H48OS MolecularWeight: 420.73442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCC(CC(C)CC1=CC=CC=C1)(O)S)C(C)(C)C

Isomeric SMILES

CCCCCCCC(CCCCC(CC(C)CC1=CC=CC=C1)(O)S)C(C)(C)C

InChI

InChI=1S/C27H48OS/c1-6-7-8-9-13-18-25(26(3,4)5)19-14-15-20-27(28,29)22-23(2)21-24-16-11-10-12-17-24/h10-12,16-17,23,25,28-29H,6-9,13-15,18-22H2,1-5H3