[1,4-bis(oxidanyl)naphthalen-2-yl] carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: [1,4-bis(oxidanyl)naphthalen-2-yl] carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: 2-(1,4-dihydroxy-2-naphthyl)isothiourea; 4-methylbenzenesulfonic acid CAS Name: carbamimidothioic acid (1,4-dihydroxy-2-naphthalenyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: (1,4-dihydroxynaphthalen-2-yl) carbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 2-(1,4-dihydroxy-2-naphthyl)isothiourea; tosylic acid Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC(=C2O)SC(=N)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CC(=C2O)SC(=N)N)O

InChI

InChI=1S/C11H10N2O2S.C7H8O3S/c12-11(13)16-9-5-8(14)6-3-1-2-4-7(6)10(9)15;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,14-15H,(H3,12,13);2-5H,1H3,(H,8,9,10)