benzenecarbothioic S-acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: benzenecarbothioic S-acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: benzenecarbothioic S-acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: benzenecarbothioic S-acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: benzenecarbothioic S-acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; thiobenzoic acid Formula: C27H32O6S3 MolecularWeight: 548.73438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C1=CC=C(C=C1)C(=O)S.C1=CC=C(C=C1)C(=O)S.C1=CC=C(C=C1)C(=O)S

Isomeric SMILES

CCC(CO)(CO)CO.C1=CC=C(C=C1)C(=O)S.C1=CC=C(C=C1)C(=O)S.C1=CC=C(C=C1)C(=O)S

InChI

InChI=1S/3C7H6OS.C6H14O3/c3*8-7(9)6-4-2-1-3-5-6;1-2-6(3-7,4-8)5-9/h3*1-5H,(H,8,9);7-9H,2-5H2,1H3