phenol; 4-sulfooxybenzoic acid

Systemtic Name: phenol; 4-sulfooxybenzoic acid Openeye Name: phenol; 4-sulfooxybenzoic acid CAS Name: phenol; 4-sulfooxybenzoic acid IUPAC Name: phenol; 4-sulfooxybenzoic acid Traditional Name: phenol; 4-sulfoxybenzoic acid Formula: C13H12O7S MolecularWeight: 312.29518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)O.C1=CC(=CC=C1C(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)O.C1=CC(=CC=C1C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C7H6O6S.C6H6O/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;7-6-4-2-1-3-5-6/h1-4H,(H,8,9)(H,10,11,12);1-5,7H