calcium 2-[(2Z)-2-[3-[(3-nitrophenyl)carbamoyl]-2-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]naphthalene-1-sulfonate

Systemtic Name: calcium 2-[(2Z)-2-[3-[(3-nitrophenyl)carbamoyl]-2-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]naphthalene-1-sulfonate Openeye Name: calcium 2-[(2Z)-2-[3-[(3-nitrophenyl)carbamoyl]-2-oxo-1-naphthylidene]hydrazino]naphthalene-1-sulfonate CAS Name: calcium 2-[(2Z)-2-[3-[(3-nitroanilino)-oxomethyl]-2-oxo-1-naphthalenylidene]hydrazinyl]-1-naphthalenesulfonate IUPAC Name: calcium 2-[(2Z)-2-[3-[(3-nitrophenyl)carbamoyl]-2-oxonaphthalen-1-ylidene]hydrazinyl]naphthalene-1-sulfonate Traditional Name: calcium 2-[(N'Z)-N'-[2-keto-3-[(3-nitrophenyl)carbamoyl]-1-naphthylidene]hydrazino]naphthalene-1-sulfonate Formula: C27H17CaN4O7S+ MolecularWeight: 581.58948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C4=CC=CC=C4C=C(C3=O)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N/N=C\3/C4=CC=CC=C4C=C(C3=O)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-].[Ca+2]

InChI

InChI=1S/C27H18N4O7S.Ca/c32-25-22(27(33)28-18-8-5-9-19(15-18)31(34)35)14-17-7-2-3-10-20(17)24(25)30-29-23-13-12-16-6-1-4-11-21(16)26(23)39(36,37)38;/h1-15,29H,(H,28,33)(H,36,37,38);/q;+2/p-1/b30-24-;