adamantane; 2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: adamantane; 2-oxidanyl-5-sulfo-benzoic acid Openeye Name: adamantane; 2-hydroxy-5-sulfo-benzoic acid CAS Name: adamantane; 2-hydroxy-5-sulfobenzoic acid IUPAC Name: adamantane; 2-hydroxy-5-sulfobenzoic acid Traditional Name: adamantane; 2-hydroxy-5-sulfo-benzoic acid Formula: C17H22O6S MolecularWeight: 354.41798

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C10H16.C7H6O6S/c1-7-2-9-4-8(1)5-10(3-7)6-9;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h7-10H,1-6H2;1-3,8H,(H,9,10)(H,11,12,13)