5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid

C32H30N6O8S2 — CID 177467172

About 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid

5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid (PubChem CID 177467172) has the molecular formula C32H30N6O8S2 and a molecular weight of 690.76 g/mol. Its IUPAC name is 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid.

Molecular Properties

• Compound Name: 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
• PubChem CID: 177467172
• Molecular Formula: C32H30N6O8S2
• Molecular Weight: 690.76 g/mol
• Exact Mass: 690.16
• IUPAC Name: 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
• SMILES: CC(=N/O)/C(=N\Nc1ccc(/C=C/c2ccc(N/N=C(C(\C)=N\O)/c3ccccc3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccccc1
• InChI: InChI=1S/C32H30N6O8S2/c1-21(37-39)31(25-9-5-3-6-10-25)35-33-27-17-15-23(29(19-27)47(41,42)43)13-14-24-16-18-28(20-30(24)48(44,45)46)34-36-32(22(2)38-40)26-11-7-4-8-12-26/h3-20,33-34,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)/b14-13+,35-31+,36-32+,37-21-,38-22+
• InChIKey: GOIFAYGNYFCOIG-HPEQVSSGSA-N
• XLogP: 5.68
• TPSA: 222.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	690.76
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid?

The IUPAC name of 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid (CID 177467172) is 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid.

What is the SMILES notation for 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid?

The canonical SMILES for 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid is CC(=N/O)/C(=N\Nc1ccc(/C=C/c2ccc(N/N=C(C(\C)=N\O)/c3ccccc3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccccc1.

What is the InChIKey of 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid?

The InChIKey is GOIFAYGNYFCOIG-HPEQVSSGSA-N. The full InChI is InChI=1S/C32H30N6O8S2/c1-21(37-39)31(25-9-5-3-6-10-25)35-33-27-17-15-23(29(19-27)47(41,42)43)13-14-24-16-18-28(20-30(24)48(44,45)46)34-36-32(22(2)38-40)26-11-7-4-8-12-26/h3-20,33-34,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)/b14-13+,35-31+,36-32+,37-21-,38-22+.

What are the key properties of 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid?

5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid has a molecular weight of 690.76 g/mol, XLogP of 5.68, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid is sourced from PubChem (CID 177467172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).