2,3-dihexadecylthianthrene-1-sulfonic acid

Systemtic Name: 2,3-dihexadecylthianthrene-1-sulfonic acid Openeye Name: 2,3-dihexadecylthianthrene-1-sulfonic acid CAS Name: 2,3-dihexadecyl-1-thianthrenesulfonic acid IUPAC Name: 2,3-dihexadecylthianthrene-1-sulfonic acid Traditional Name: 2,3-dicetylthianthrene-1-sulfonic acid Formula: C44H72O3S3 MolecularWeight: 745.23568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC2=C(C(=C1CCCCCCCCCCCCCCCC)S(=O)(=O)O)SC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC2=C(C(=C1CCCCCCCCCCCCCCCC)S(=O)(=O)O)SC3=CC=CC=C3S2

InChI

InChI=1S/C44H72O3S3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-38-37-42-43(49-41-36-32-31-35-40(41)48-42)44(50(45,46)47)39(38)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-37H,3-30,33-34H2,1-2H3,(H,45,46,47)