3-hexadecylsulfanyl-2-(6-methylcyclohex-3-en-1-yl)propan-1-ol; phosphoric acid

Systemtic Name: 3-hexadecylsulfanyl-2-(6-methylcyclohex-3-en-1-yl)propan-1-ol; phosphoric acid Openeye Name: 3-hexadecylsulfanyl-2-(6-methylcyclohex-3-en-1-yl)propan-1-ol; phosphoric acid CAS Name: 3-(hexadecylthio)-2-(6-methyl-1-cyclohex-3-enyl)-1-propanol; phosphoric acid IUPAC Name: 3-hexadecylsulfanyl-2-(6-methylcyclohex-3-en-1-yl)propan-1-ol; phosphoric acid Traditional Name: 3-(cetylthio)-2-(6-methylcyclohex-3-en-1-yl)propan-1-ol; phosphoric acid Formula: C26H53O5PS MolecularWeight: 508.734781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CO)C1CC=CCC1C.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CO)C1CC=CCC1C.OP(=O)(O)O

InChI

InChI=1S/C26H50OS.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-28-23-25(22-27)26-20-17-16-19-24(26)2;1-5(2,3)4/h16-17,24-27H,3-15,18-23H2,1-2H3;(H3,1,2,3,4)