4-icosylbenzenecarbothioic S-acid

Systemtic Name: 4-icosylbenzenecarbothioic S-acid Openeye Name: 4-icosylbenzenecarbothioic S-acid CAS Name: 4-eicosylbenzenecarbothioic S-acid IUPAC Name: 4-icosylbenzenecarbothioic S-acid Traditional Name: 4-arachylthiobenzoic acid Formula: C27H46OS MolecularWeight: 418.71854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)S

InChI

InChI=1S/C27H46OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(24-22-25)27(28)29/h21-24H,2-20H2,1H3,(H,28,29)