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: C54H34CaN8O14S2 MolecularWeight: 1123.10096

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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-].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(=C(C=CC2=C1)N/N=C/3\C(=O)C(=CC4=CC=CC=C34)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C(C=CC2=C1)N/N=C/3\C(=O)C(=CC4=CC=CC=C34)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C27H18N4O7S.Ca/c2*32-25-22(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;/h2*1-15,29H,(H,28,33)(H,36,37,38);/q;;+2/p-2/b2*30-24-;