7-(naphthalen-1-ylcarbamoylamino)-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-(naphthalen-1-ylcarbamoylamino)-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-(1-naphthylcarbamoylamino)naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[[(1-naphthalenylamino)-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-(naphthalen-1-ylcarbamoylamino)naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-(1-naphthylcarbamoylamino)naphthalene-2-sulfonic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O5S/c24-20-12-16(29(26,27)28)11-14-10-15(8-9-18(14)20)22-21(25)23-19-7-3-5-13-4-1-2-6-17(13)19/h1-12,24H,(H2,22,23,25)(H,26,27,28)