3,5-bis(hexadecoxycarbonyl)benzenesulfinic acid

Systemtic Name: 3,5-bis(hexadecoxycarbonyl)benzenesulfinic acid Openeye Name: 3,5-bis(hexadecoxycarbonyl)benzenesulfinic acid CAS Name: 3,5-bis[hexadecoxy(oxo)methyl]benzenesulfinic acid IUPAC Name: 3,5-bis(hexadecoxycarbonyl)benzenesulfinic acid Traditional Name: 3,5-bis(cetyloxycarbonyl)benzenesulfinic acid Formula: C40H70O6S MolecularWeight: 679.0452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)O)C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)O)C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C40H70O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45-39(41)36-33-37(35-38(34-36)47(43)44)40(42)46-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35H,3-32H2,1-2H3,(H,43,44)